1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride

C16H25ClN2O — CID 119943411

IUPAC1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCc1cc(C)cc(N(C)C(=O)C2(CN)CCCC2)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-8-13(2)10-14(9-12)18(3)15(19)16(11-17)6-4-5-7-16;/h8-10H,4-7,11,17H2,1-3H3;1H
InChIKeyQZVPWBYVACCSHD-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.21
Rot. Bonds3

About 1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride

1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119943411) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119943411
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCc1cc(C)cc(N(C)C(=O)C2(CN)CCCC2)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-8-13(2)10-14(9-12)18(3)15(19)16(11-17)6-4-5-7-16;/h8-10H,4-7,11,17H2,1-3H3;1H
InChIKeyQZVPWBYVACCSHD-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide
CID 115182653
4-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]benzoic acid
CID 104698752
1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 54593229
1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182580
3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide
CID 115185610
1-(aminomethyl)-N-methyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 80587931
4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
CID 120916942
2-amino-N-(3,5-dimethylphenyl)-N-methylacetamide
CID 28794396
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544
5-[[1-(aminomethyl)cyclohexanecarbonyl]-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 115438013
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 115183487
1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide
CID 115183508

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride (CID 119943411) is 1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride is Cc1cc(C)cc(N(C)C(=O)C2(CN)CCCC2)c1.Cl.
What is the InChIKey of 1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is QZVPWBYVACCSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12-8-13(2)10-14(9-12)18(3)15(19)16(11-17)6-4-5-7-16;/h8-10H,4-7,11,17H2,1-3H3;1H.
What are the key properties of 1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119943411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).