N-(cyclobutylmethyl)azepane-2-carboxamide

C12H22N2O — CID 64564563

IUPACN-(cyclobutylmethyl)azepane-2-carboxamide
SMILESO=C(NCC1CCC1)C1CCCCCN1
InChIInChI=1S/C12H22N2O/c15-12(14-9-10-5-4-6-10)11-7-2-1-3-8-13-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyUSRKJUNWFKUYDC-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.43
Rot. Bonds3

About N-(cyclobutylmethyl)azepane-2-carboxamide

N-(cyclobutylmethyl)azepane-2-carboxamide (PubChem CID 64564563) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(cyclobutylmethyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)azepane-2-carboxamide
PubChem CID64564563
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(cyclobutylmethyl)azepane-2-carboxamide
SMILESO=C(NCC1CCC1)C1CCCCCN1
InChIInChI=1S/C12H22N2O/c15-12(14-9-10-5-4-6-10)11-7-2-1-3-8-13-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyUSRKJUNWFKUYDC-UHFFFAOYSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
N-(oxan-4-ylmethyl)azocane-2-carboxamide
CID 114240145
(2R)-N-[(4-hydroxycyclohexyl)methyl]piperidine-2-carboxamide
CID 106135357
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 103814109
(2R)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796004
(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796007
(2R)-N-(cyclopropylmethyl)azetidine-2-carboxamide;hydrochloride
CID 130670141
(2S)-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107296038
(2R)-N-[(2-methylcyclopentyl)methyl]piperidine-2-carboxamide
CID 107418450
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300473
N-[(2-hydroxycyclopentyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 111463943

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)azepane-2-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)azepane-2-carboxamide (CID 64564563) is N-(cyclobutylmethyl)azepane-2-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)azepane-2-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)azepane-2-carboxamide is O=C(NCC1CCC1)C1CCCCCN1.
What is the InChIKey of N-(cyclobutylmethyl)azepane-2-carboxamide?
The InChIKey is USRKJUNWFKUYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12(14-9-10-5-4-6-10)11-7-2-1-3-8-13-11/h10-11,13H,1-9H2,(H,14,15).
What are the key properties of N-(cyclobutylmethyl)azepane-2-carboxamide?
N-(cyclobutylmethyl)azepane-2-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)azepane-2-carboxamide is sourced from PubChem (CID 64564563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).