1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide

C16H24N2O — CID 55037857

IUPAC1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCc1ccccc1C(C)NC(=O)C1(CN)CCCC1
InChIInChI=1S/C16H24N2O/c1-12-7-3-4-8-14(12)13(2)18-15(19)16(11-17)9-5-6-10-16/h3-4,7-8,13H,5-6,9-11,17H2,1-2H3,(H,18,19)
InChIKeyCESUDNZQPHGMDT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.69
Rot. Bonds4

About 1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 55037857) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID55037857
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCc1ccccc1C(C)NC(=O)C1(CN)CCCC1
InChIInChI=1S/C16H24N2O/c1-12-7-3-4-8-14(12)13(2)18-15(19)16(11-17)9-5-6-10-16/h3-4,7-8,13H,5-6,9-11,17H2,1-2H3,(H,18,19)
InChIKeyCESUDNZQPHGMDT-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115442483
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115448423
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115453236
1-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43399713
1-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide
CID 81489633
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
1-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)cyclobutane-1-carboxamide
CID 167870150
1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115441667
1-(aminomethyl)-N-[(1R)-1-pyridin-4-ylethyl]cyclopentane-1-carboxamide
CID 94008169
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685506

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide (CID 55037857) is 1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide is Cc1ccccc1C(C)NC(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is CESUDNZQPHGMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-7-3-4-8-14(12)13(2)18-15(19)16(11-17)9-5-6-10-16/h3-4,7-8,13H,5-6,9-11,17H2,1-2H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55037857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).