3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide

C14H27N3O — CID 66008993

IUPAC3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCCN2CCCCCC2)C1
InChIInChI=1S/C14H27N3O/c15-13-6-5-12(11-13)14(18)16-7-10-17-8-3-1-2-4-9-17/h12-13H,1-11,15H2,(H,16,18)
InChIKeyWKDIWNCPEIUSBZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.11
Rot. Bonds4

About 3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide

3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 66008993) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID66008993
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCCN2CCCCCC2)C1
InChIInChI=1S/C14H27N3O/c15-13-6-5-12(11-13)14(18)16-7-10-17-8-3-1-2-4-9-17/h12-13H,1-11,15H2,(H,16,18)
InChIKeyWKDIWNCPEIUSBZ-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850859
4-amino-2-methyl-N-(2-piperidin-1-ylethyl)cyclohexane-1-carboxamide
CID 62782757
3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119901784
3-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]cyclohexane-1-carboxamide
CID 62808201
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119850090
3-amino-N-(2-cyclopentylethyl)cyclopentane-1-carboxamide
CID 66010406
(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120632718
3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549965
3-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide;trihydrochloride
CID 119900981
3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119786008
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide (CID 66008993) is 3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NCCN2CCCCCC2)C1.
What is the InChIKey of 3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is WKDIWNCPEIUSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c15-13-6-5-12(11-13)14(18)16-7-10-17-8-3-1-2-4-9-17/h12-13H,1-11,15H2,(H,16,18).
What are the key properties of 3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide?
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 66008993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).