2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline

C15H24N2 — CID 114543498

IUPAC2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline
SMILESCc1ccc(CN)c(NC2CCC(C)(C)C2)c1
InChIInChI=1S/C15H24N2/c1-11-4-5-12(10-16)14(8-11)17-13-6-7-15(2,3)9-13/h4-5,8,13,17H,6-7,9-10,16H2,1-3H3
InChIKeyPWPOMICWHUWCDJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.44
Rot. Bonds3

About 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline

2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline (PubChem CID 114543498) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline
PubChem CID114543498
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline
SMILESCc1ccc(CN)c(NC2CCC(C)(C)C2)c1
InChIInChI=1S/C15H24N2/c1-11-4-5-12(10-16)14(8-11)17-13-6-7-15(2,3)9-13/h4-5,8,13,17H,6-7,9-10,16H2,1-3H3
InChIKeyPWPOMICWHUWCDJ-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
2,N-Dimethylaniline
CID 69137
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683
Benzenamine, N-ethyl-2-methyl-
CID 7201
Benzenamine, N,3-dimethyl-
CID 69675
Benzenamine, 3-methyl-4-(1-pyrrolidinyl)-, hydrochloride (1:1)
CID 109673
N,N-dimethyl-4-{[(propan-2-yl)amino]methyl}aniline
CID 2774184
3-[(2,5-Dimethylphenyl)amino]propanenitrile
CID 2416544
1-(2,5-Xylyl)piperazine
CID 70542

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline?
The IUPAC name of 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline (CID 114543498) is 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline?
The canonical SMILES for 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline is Cc1ccc(CN)c(NC2CCC(C)(C)C2)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline?
The InChIKey is PWPOMICWHUWCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-4-5-12(10-16)14(8-11)17-13-6-7-15(2,3)9-13/h4-5,8,13,17H,6-7,9-10,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline?
2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline is sourced from PubChem (CID 114543498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).