N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride

C12H25ClN2O — CID 119497906

IUPACN-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
SMILESCCC1(C(=O)NCCC(C)N)CCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-12(7-4-5-8-12)11(15)14-9-6-10(2)13;/h10H,3-9,13H2,1-2H3,(H,14,15);1H
InChIKeyGQQRIEHSMJQNPM-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.23
Rot. Bonds5

About N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride

N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119497906) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119497906
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC NameN-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
SMILESCCC1(C(=O)NCCC(C)N)CCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-12(7-4-5-8-12)11(15)14-9-6-10(2)13;/h10H,3-9,13H2,1-2H3,(H,14,15);1H
InChIKeyGQQRIEHSMJQNPM-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119498511
(2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid
CID 107834001
N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide
CID 114296561
1-ethyl-N-[(2R)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 83059320
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
1-ethyl-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107318578
1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide
CID 106846383
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide
CID 113295139
1-amino-N-(3-methylbutyl)cyclopentane-1-carboxamide
CID 60866848
N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide
CID 115365659
4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide
CID 63129508
N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 114305869

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride (CID 119497906) is N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride is CCC1(C(=O)NCCC(C)N)CCCC1.Cl.
What is the InChIKey of N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is GQQRIEHSMJQNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-3-12(7-4-5-8-12)11(15)14-9-6-10(2)13;/h10H,3-9,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride?
N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119497906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).