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

C13H25ClN2O — CID 119669540

IUPAC(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C13H24N2O.ClH/c14-12-7-5-6-11(10-12)13(16)15-8-3-1-2-4-9-15;/h11-12H,1-10,14H2;1H
InChIKeyGVDITNNYVHTICA-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.33
Rot. Bonds1

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

(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride (PubChem CID 119669540) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
PubChem CID119669540
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C13H24N2O.ClH/c14-12-7-5-6-11(10-12)13(16)15-8-3-1-2-4-9-15;/h11-12H,1-10,14H2;1H
InChIKeyGVDITNNYVHTICA-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119755471
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride (CID 119669540) is (3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride is Cl.NC1CCCC(C(=O)N2CCCCCC2)C1.
What is the InChIKey of (3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride?
The InChIKey is GVDITNNYVHTICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c14-12-7-5-6-11(10-12)13(16)15-8-3-1-2-4-9-15;/h11-12H,1-10,14H2;1H.
What are the key properties of (3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride?
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.33, 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;hydrochloride is sourced from PubChem (CID 119669540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).