N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide

C15H28N2O — CID 64562992

IUPACN-(2,3-dimethylcyclohexyl)azepane-2-carboxamide
SMILESCC1CCCC(NC(=O)C2CCCCCN2)C1C
InChIInChI=1S/C15H28N2O/c1-11-7-6-9-13(12(11)2)17-15(18)14-8-4-3-5-10-16-14/h11-14,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyMHSDTUUPPAVJTG-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.46
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide

N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide (PubChem CID 64562992) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)azepane-2-carboxamide
PubChem CID64562992
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(2,3-dimethylcyclohexyl)azepane-2-carboxamide
SMILESCC1CCCC(NC(=O)C2CCCCCN2)C1C
InChIInChI=1S/C15H28N2O/c1-11-7-6-9-13(12(11)2)17-15(18)14-8-4-3-5-10-16-14/h11-14,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyMHSDTUUPPAVJTG-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylcyclohexyl)azepane-2-carboxamide
CID 64564160
N-(2-methylcyclopentyl)pyrrolidine-2-carboxamide
CID 63281892
N-(2,3-dimethylcyclohexyl)-3-methylpiperidine-2-carboxamide
CID 55060363
N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide
CID 64570961
(2S)-N-(2-methoxycyclopentyl)piperidine-2-carboxamide
CID 104913815
N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 120607881
N-cyclopentylazepane-2-carboxamide
CID 64564743
(2R)-N-(4-methyloxolan-3-yl)pyrrolidine-2-carboxamide
CID 164659167
(2R)-N-[2-(hydroxymethyl)cyclohexyl]piperidine-2-carboxamide
CID 114178725
N-(2-ethylsulfanylcyclopentyl)piperidine-2-carboxamide;hydrochloride
CID 119343690
(2S)-N-(2,2-dimethylcyclopropyl)piperidine-2-carboxamide
CID 104913794
N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 110911866

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide (CID 64562992) is N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide is CC1CCCC(NC(=O)C2CCCCCN2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide?
The InChIKey is MHSDTUUPPAVJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11-7-6-9-13(12(11)2)17-15(18)14-8-4-3-5-10-16-14/h11-14,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide?
N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide is sourced from PubChem (CID 64562992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).