N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide

C16H24N2O — CID 62955686

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC2CCCC2CN)c1
InChIInChI=1S/C16H24N2O/c1-12-4-2-5-13(10-12)8-9-16(19)18-15-7-3-6-14(15)11-17/h2,4-5,10,14-15H,3,6-9,11,17H2,1H3,(H,18,19)
InChIKeyXIXZSUZWKOMAOC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.17
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide

N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide (PubChem CID 62955686) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
PubChem CID62955686
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC2CCCC2CN)c1
InChIInChI=1S/C16H24N2O/c1-12-4-2-5-13(10-12)8-9-16(19)18-15-7-3-6-14(15)11-17/h2,4-5,10,14-15H,3,6-9,11,17H2,1H3,(H,18,19)
InChIKeyXIXZSUZWKOMAOC-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide
CID 103860366
N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
CID 119611998
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119609666
N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 106366301
N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
CID 119601994
N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216
N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide
CID 81483186
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119610794
N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119604290
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312
3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide
CID 43309134

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide (CID 62955686) is N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NC2CCCC2CN)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide?
The InChIKey is XIXZSUZWKOMAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-4-2-5-13(10-12)8-9-16(19)18-15-7-3-6-14(15)11-17/h2,4-5,10,14-15H,3,6-9,11,17H2,1H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide?
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 62955686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).