1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

C14H21ClN2O — CID 119270631

IUPAC1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccccc1CNC(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-6-2-3-7-12(11)10-16-13(17)14(15)8-4-5-9-14;/h2-3,6-7H,4-5,8-10,15H2,1H3,(H,16,17);1H
InChIKeyPUWAQCRLORBGMT-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.30
Rot. Bonds3

About 1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119270631) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119270631
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccccc1CNC(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-6-2-3-7-12(11)10-16-13(17)14(15)8-4-5-9-14;/h2-3,6-7H,4-5,8-10,15H2,1H3,(H,16,17);1H
InChIKeyPUWAQCRLORBGMT-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 61402383
1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869384
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836114
1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 119777807
1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119308087
N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride
CID 119259809
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402226

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119270631) is 1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cc1ccccc1CNC(=O)C1(N)CCCC1.Cl.
What is the InChIKey of 1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is PUWAQCRLORBGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-11-6-2-3-7-12(11)10-16-13(17)14(15)8-4-5-9-14;/h2-3,6-7H,4-5,8-10,15H2,1H3,(H,16,17);1H.
What are the key properties of 1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119270631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).