N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide

C16H31N3O — CID 115306511

IUPACN-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide
SMILESO=C(NCCNC1CCCCCC1)N1CCCCCC1
InChIInChI=1S/C16H31N3O/c20-16(19-13-7-3-4-8-14-19)18-12-11-17-15-9-5-1-2-6-10-15/h15,17H,1-14H2,(H,18,20)
InChIKeyWUHOVDSZAZPKFH-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.88
Rot. Bonds4

About N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide

N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide (PubChem CID 115306511) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide
PubChem CID115306511
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide
SMILESO=C(NCCNC1CCCCCC1)N1CCCCCC1
InChIInChI=1S/C16H31N3O/c20-16(19-13-7-3-4-8-14-19)18-12-11-17-15-9-5-1-2-6-10-15/h15,17H,1-14H2,(H,18,20)
InChIKeyWUHOVDSZAZPKFH-UHFFFAOYSA-N
XLogP2.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide
CID 113223981
N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride
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N-[2-(cyclononylamino)ethyl]acetamide
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N-(2-acetamidoethyl)piperidine-1-carboxamide
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N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
N-(2-fluoroethyl)piperidine-1-carboxamide
CID 126973652
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
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N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide (CID 115306511) is N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide is O=C(NCCNC1CCCCCC1)N1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide?
The InChIKey is WUHOVDSZAZPKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c20-16(19-13-7-3-4-8-14-19)18-12-11-17-15-9-5-1-2-6-10-15/h15,17H,1-14H2,(H,18,20).
What are the key properties of N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide?
N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide is sourced from PubChem (CID 115306511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).