(3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride

C14H27ClN2O — CID 119794884

IUPAC(3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
SMILESCCC1CCCN(C(=O)C2CCC(N)C2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-2-11-4-3-8-16(9-7-11)14(17)12-5-6-13(15)10-12;/h11-13H,2-10,15H2,1H3;1H
InChIKeyTWQVZOIXVIHGKW-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.57
Rot. Bonds2

About (3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride

(3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride (PubChem CID 119794884) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
PubChem CID119794884
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name(3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
SMILESCCC1CCCN(C(=O)C2CCC(N)C2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-2-11-4-3-8-16(9-7-11)14(17)12-5-6-13(15)10-12;/h11-13H,2-10,15H2,1H3;1H
InChIKeyTWQVZOIXVIHGKW-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-aminocyclopentyl)-(4-propylazepan-1-yl)methanone
CID 66009237
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
(3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone
CID 62780914
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091996
(3-aminocyclopentyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103810664
1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763227
1-(3-aminocyclopentanecarbonyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119763367
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylpiperidin-1-yl)methanone
CID 120986818
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119755471

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride (CID 119794884) is (3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride is CCC1CCCN(C(=O)C2CCC(N)C2)CC1.Cl.
What is the InChIKey of (3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride?
The InChIKey is TWQVZOIXVIHGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-2-11-4-3-8-16(9-7-11)14(17)12-5-6-13(15)10-12;/h11-13H,2-10,15H2,1H3;1H.
What are the key properties of (3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride?
(3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119794884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).