N-(2-methylcyclohexyl)azepane-2-carboxamide

C14H26N2O — CID 64564160

IUPACN-(2-methylcyclohexyl)azepane-2-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCCCCN1
InChIInChI=1S/C14H26N2O/c1-11-7-4-5-8-12(11)16-14(17)13-9-3-2-6-10-15-13/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyXMYQXQDTJXJCEY-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.21
Rot. Bonds2

About N-(2-methylcyclohexyl)azepane-2-carboxamide

N-(2-methylcyclohexyl)azepane-2-carboxamide (PubChem CID 64564160) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)azepane-2-carboxamide
PubChem CID64564160
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(2-methylcyclohexyl)azepane-2-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCCCCN1
InChIInChI=1S/C14H26N2O/c1-11-7-4-5-8-12(11)16-14(17)13-9-3-2-6-10-15-13/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyXMYQXQDTJXJCEY-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylcyclopentyl)pyrrolidine-2-carboxamide
CID 63281892
N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide
CID 64562992
N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide
CID 64570961
N-(2-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide
CID 24704493
(2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 63997751
N-(2-methylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 119676476
N-cyclopentylazepane-2-carboxamide
CID 64564743
(2S)-N-(2-methoxycyclopentyl)piperidine-2-carboxamide
CID 104913815
(2R)-N-[2-(hydroxymethyl)cyclohexyl]piperidine-2-carboxamide
CID 114178725
(2R)-N-(4-methyloxolan-3-yl)pyrrolidine-2-carboxamide
CID 164659167
N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 110911866
(2S)-N-(2,2-dimethylcyclopropyl)piperidine-2-carboxamide
CID 104913794

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)azepane-2-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)azepane-2-carboxamide (CID 64564160) is N-(2-methylcyclohexyl)azepane-2-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)azepane-2-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)azepane-2-carboxamide is CC1CCCCC1NC(=O)C1CCCCCN1.
What is the InChIKey of N-(2-methylcyclohexyl)azepane-2-carboxamide?
The InChIKey is XMYQXQDTJXJCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-7-4-5-8-12(11)16-14(17)13-9-3-2-6-10-15-13/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(2-methylcyclohexyl)azepane-2-carboxamide?
N-(2-methylcyclohexyl)azepane-2-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)azepane-2-carboxamide is sourced from PubChem (CID 64564160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).