(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride

C14H27ClN2O — CID 119756366

IUPAC(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
SMILESCC1CCCN(C(=O)C2CCCC(N)C2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-11-4-3-8-16(9-7-11)14(17)12-5-2-6-13(15)10-12;/h11-13H,2-10,15H2,1H3;1H
InChIKeyXHDZFAWONKVUNI-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.57
Rot. Bonds1

About (3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride

(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride (PubChem CID 119756366) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
PubChem CID119756366
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
SMILESCC1CCCN(C(=O)C2CCCC(N)C2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-11-4-3-8-16(9-7-11)14(17)12-5-2-6-13(15)10-12;/h11-13H,2-10,15H2,1H3;1H
InChIKeyXHDZFAWONKVUNI-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
(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
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550750
2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate
CID 55147306
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride (CID 119756366) is (3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride is CC1CCCN(C(=O)C2CCCC(N)C2)CC1.Cl.
What is the InChIKey of (3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride?
The InChIKey is XHDZFAWONKVUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-11-4-3-8-16(9-7-11)14(17)12-5-2-6-13(15)10-12;/h11-13H,2-10,15H2,1H3;1H.
What are the key properties of (3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride?
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119756366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).