(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride

C15H29ClN2O — CID 119329946

IUPAC(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
SMILESCCC1CCCN(C(=O)C2(N)CCCCC2)CC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-2-13-7-6-11-17(12-8-13)14(18)15(16)9-4-3-5-10-15;/h13H,2-12,16H2,1H3;1H
InChIKeyDHURMEGLBCBANR-UHFFFAOYSA-N
MW288.86 g/mol
LogP3.11
Rot. Bonds2

About (1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride

(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride (PubChem CID 119329946) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
PubChem CID119329946
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
SMILESCCC1CCCN(C(=O)C2(N)CCCCC2)CC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-2-13-7-6-11-17(12-8-13)14(18)15(16)9-4-3-5-10-15;/h13H,2-12,16H2,1H3;1H
InChIKeyDHURMEGLBCBANR-UHFFFAOYSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 60952931
1-(4-ethylazepane-1-carbonyl)cyclobutane-1-carbothioamide
CID 80590481
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875759
(1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 81172154
(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 81172457
(1-aminocyclopropyl)-(4-propylpiperidin-1-yl)methanone
CID 65466440
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide
CID 119301801
N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 119306959
(1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119335089
(1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119880907
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride?
The IUPAC name of (1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride (CID 119329946) is (1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride?
The canonical SMILES for (1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride is CCC1CCCN(C(=O)C2(N)CCCCC2)CC1.Cl.
What is the InChIKey of (1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride?
The InChIKey is DHURMEGLBCBANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-2-13-7-6-11-17(12-8-13)14(18)15(16)9-4-3-5-10-15;/h13H,2-12,16H2,1H3;1H.
What are the key properties of (1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride?
(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119329946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).