AI33731
1391737-77-1 | tert-Butyl 4-(isopropylamino)azepane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI33731
ChemicalName
tert-Butyl 4-(isopropylamino)azepane-1-carboxylate
CasNumber
1391737-77-1
MolecularFormula
C14H28N2O2
MolecularWeight
256.3843
MdlNumber
MFCD22681623
Smiles
CC(NC1CCCN(CC1)C(=O)OC(C)(C)C)C
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.4
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CatalogNumber: AI33731
ChemicalName: tert-Butyl 4-(isopropylamino)azepane-1-carboxylate
CasNumber: 1391737-77-1
MolecularFormula: C14H28N2O2
MolecularWeight: 256.3843
MdlNumber: MFCD22681623
Smiles: CC(NC1CCCN(CC1)C(=O)OC(C)(C)C)C
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.4
CatalogNumber:
AI33731
ChemicalName:
tert-Butyl 4-(isopropylamino)azepane-1-carboxylate
CasNumber:
1391737-77-1
MolecularFormula:
C14H28N2O2
MolecularWeight:
256.3843
MdlNumber:
MFCD22681623
Smiles:
CC(NC1CCCN(CC1)C(=O)OC(C)(C)C)C
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.4
CatalogNumber: AI33732
ChemicalName: tert-Butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
CasNumber: 1391738-60-5
MolecularFormula: C11H17N3O4
MolecularWeight: 255.2704
MdlNumber: MFCD22372527
Smiles: O=C1NC(=O)C2(N1)CCN(C2)C(=O)OC(C)(C)C
Complexity: 415
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.2
CatalogNumber:
AI33732
ChemicalName:
tert-Butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
CasNumber:
1391738-60-5
MolecularFormula:
C11H17N3O4
MolecularWeight:
255.2704
MdlNumber:
MFCD22372527
Smiles:
O=C1NC(=O)C2(N1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
415
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.2
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Smiles: C#CCC1(CC1)NC(=O)OC(C)(C)C
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Smiles:
C#CCC1(CC1)NC(=O)OC(C)(C)C
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Smiles: CCC1(CC1)NC(=O)OC(C)(C)C
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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CasNumber:
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MolecularFormula:
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Smiles:
CCC1(CC1)NC(=O)OC(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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