N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide

C13H24N2O — CID 104954794

IUPACN-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide
SMILESCC1(C)CC1CNC(=O)C1CCCCCN1
InChIInChI=1S/C13H24N2O/c1-13(2)8-10(13)9-15-12(16)11-6-4-3-5-7-14-11/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyGUQMXSGBZIHCHS-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.68
Rot. Bonds3

About N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide

N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide (PubChem CID 104954794) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide
PubChem CID104954794
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide
SMILESCC1(C)CC1CNC(=O)C1CCCCCN1
InChIInChI=1S/C13H24N2O/c1-13(2)8-10(13)9-15-12(16)11-6-4-3-5-7-14-11/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyGUQMXSGBZIHCHS-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119785410
(2R)-N-[(2,2-dimethylcyclopropyl)methyl]azetidine-2-carboxamide
CID 130710779
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
(2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 79362349
(2S)-N-[(2-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 103809808
(2S)-N-(2,2-dimethylcyclopropyl)piperidine-2-carboxamide
CID 104913794
(2R)-N-[(2-methylcyclopentyl)methyl]piperidine-2-carboxamide
CID 107418450
N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103630206
N-[(2,2-dimethylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119785395
N-(cyanomethyl)azocane-2-carboxamide
CID 130491299
N-(oxan-4-ylmethyl)azocane-2-carboxamide
CID 114240145

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide (CID 104954794) is N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide is CC1(C)CC1CNC(=O)C1CCCCCN1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide?
The InChIKey is GUQMXSGBZIHCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2)8-10(13)9-15-12(16)11-6-4-3-5-7-14-11/h10-11,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide?
N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide is sourced from PubChem (CID 104954794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).