(3-aminocyclohexyl)-(azepan-1-yl)methanone

C13H24N2O — CID 62777003

IUPAC(3-aminocyclohexyl)-(azepan-1-yl)methanone
SMILESNC1CCCC(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C13H24N2O/c14-12-7-5-6-11(10-12)13(16)15-8-3-1-2-4-9-15/h11-12H,1-10,14H2
InChIKeyFFORENJFMCNEMU-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.91
Rot. Bonds1

About (3-aminocyclohexyl)-(azepan-1-yl)methanone

(3-aminocyclohexyl)-(azepan-1-yl)methanone (PubChem CID 62777003) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(azepan-1-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(azepan-1-yl)methanone
PubChem CID62777003
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(3-aminocyclohexyl)-(azepan-1-yl)methanone
SMILESNC1CCCC(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C13H24N2O/c14-12-7-5-6-11(10-12)13(16)15-8-3-1-2-4-9-15/h11-12H,1-10,14H2
InChIKeyFFORENJFMCNEMU-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63046105
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119755471
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(azepan-1-yl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(azepan-1-yl)methanone (CID 62777003) is (3-aminocyclohexyl)-(azepan-1-yl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(azepan-1-yl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(azepan-1-yl)methanone is NC1CCCC(C(=O)N2CCCCCC2)C1.
What is the InChIKey of (3-aminocyclohexyl)-(azepan-1-yl)methanone?
The InChIKey is FFORENJFMCNEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-12-7-5-6-11(10-12)13(16)15-8-3-1-2-4-9-15/h11-12H,1-10,14H2.
What are the key properties of (3-aminocyclohexyl)-(azepan-1-yl)methanone?
(3-aminocyclohexyl)-(azepan-1-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(azepan-1-yl)methanone is sourced from PubChem (CID 62777003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).