3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine

C13H20N2 — CID 79462336

IUPAC3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine
SMILESCc1ccc(NC2CCC(N)C2)c(C)c1
InChIInChI=1S/C13H20N2/c1-9-3-6-13(10(2)7-9)15-12-5-4-11(14)8-12/h3,6-7,11-12,15H,4-5,8,14H2,1-2H3
InChIKeyPVLNXPZNOBCSAI-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.60
Rot. Bonds2

About 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine

3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine (PubChem CID 79462336) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine
PubChem CID79462336
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine
SMILESCc1ccc(NC2CCC(N)C2)c(C)c1
InChIInChI=1S/C13H20N2/c1-9-3-6-13(10(2)7-9)15-12-5-4-11(14)8-12/h3,6-7,11-12,15H,4-5,8,14H2,1-2H3
InChIKeyPVLNXPZNOBCSAI-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dicarbine
CID 65684
N'-(2,4-dimethylphenyl)-N-methylformamidine
CID 36326
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
N-(2,4-Dimethylphenyl)formamide
CID 92363
N,N'-Di-o-tolylethylenediamine
CID 66759
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
4,4'-Methylenebis(N-methylaniline)
CID 15735
Santoflex DD
CID 6965
2-Methylindoline
CID 23305
2,N-Dimethylaniline
CID 69137
Benzenamine, N-ethyl-2-methyl-
CID 7201
2-Mepp
CID 91965

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine (CID 79462336) is 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine is Cc1ccc(NC2CCC(N)C2)c(C)c1.
What is the InChIKey of 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine?
The InChIKey is PVLNXPZNOBCSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-3-6-13(10(2)7-9)15-12-5-4-11(14)8-12/h3,6-7,11-12,15H,4-5,8,14H2,1-2H3.
What are the key properties of 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine?
3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79462336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).