1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide

C16H31N3O — CID 119831267

IUPAC1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCCN2CCCCCC2)CCCCC1
InChIInChI=1S/C16H31N3O/c17-16(9-4-3-5-10-16)15(20)18-11-8-14-19-12-6-1-2-7-13-19/h1-14,17H2,(H,18,20)
InChIKeyVMCRVVQMXOPMIH-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.03
Rot. Bonds5

About 1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide

1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 119831267) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
PubChem CID119831267
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCCN2CCCCCC2)CCCCC1
InChIInChI=1S/C16H31N3O/c17-16(9-4-3-5-10-16)15(20)18-11-8-14-19-12-6-1-2-7-13-19/h1-14,17H2,(H,18,20)
InChIKeyVMCRVVQMXOPMIH-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(3-piperidin-1-ylpropyl)cyclopentane-1-carboxamide
CID 60867938
1-amino-N-(3-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 81179848
1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119831195
1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851085
1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide
CID 81171639
2-(1-aminocyclopentyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 64685760
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408
1-amino-N-(3-oxo-3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 115733771
1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852759
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
1-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 61241468
1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858866

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide (CID 119831267) is 1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide is NC1(C(=O)NCCCN2CCCCCC2)CCCCC1.
What is the InChIKey of 1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is VMCRVVQMXOPMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c17-16(9-4-3-5-10-16)15(20)18-11-8-14-19-12-6-1-2-7-13-19/h1-14,17H2,(H,18,20).
What are the key properties of 1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide?
1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119831267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).