3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride

C17H33ClN2O — CID 119812295

IUPAC3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)CC1(CNC(=O)C2CCCC(N)C2)CCCC1.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-13(2)11-17(8-3-4-9-17)12-19-16(20)14-6-5-7-15(18)10-14;/h13-15H,3-12,18H2,1-2H3,(H,19,20);1H
InChIKeyPQDACIBTLURXNY-UHFFFAOYSA-N
MW316.92 g/mol
LogP3.65
Rot. Bonds5

About 3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119812295) has the molecular formula C17H33ClN2O and a molecular weight of 316.92 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119812295
Molecular FormulaC17H33ClN2O
Molecular Weight316.92 g/mol
Exact Mass316.23
IUPAC Name3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)CC1(CNC(=O)C2CCCC(N)C2)CCCC1.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-13(2)11-17(8-3-4-9-17)12-19-16(20)14-6-5-7-15(18)10-14;/h13-15H,3-12,18H2,1-2H3,(H,19,20);1H
InChIKeyPQDACIBTLURXNY-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[[1-(2-methylpropyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 119821372
cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 154909398
3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 103812995
3-amino-N-[(1-ethylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119782141
3-amino-N-[(1-ethylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 103810881
N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide
CID 63047139
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828819
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide
CID 66174277
3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride
CID 119784027
3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782648

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119812295) is 3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride is CC(C)CC1(CNC(=O)C2CCCC(N)C2)CCCC1.Cl.
What is the InChIKey of 3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is PQDACIBTLURXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.ClH/c1-13(2)11-17(8-3-4-9-17)12-19-16(20)14-6-5-7-15(18)10-14;/h13-15H,3-12,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 316.92 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119812295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).