2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine

C16H26N2 — CID 113333796

IUPAC2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCc1cccc(N)c1N(CC(C)C)C1CCCC1
InChIInChI=1S/C16H26N2/c1-12(2)11-18(14-8-4-5-9-14)16-13(3)7-6-10-15(16)17/h6-7,10,12,14H,4-5,8-9,11,17H2,1-3H3
InChIKeyCPOLLUXSYIQWOV-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.98
Rot. Bonds4

About 2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine

2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine (PubChem CID 113333796) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
PubChem CID113333796
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCc1cccc(N)c1N(CC(C)C)C1CCCC1
InChIInChI=1S/C16H26N2/c1-12(2)11-18(14-8-4-5-9-14)16-13(3)7-6-10-15(16)17/h6-7,10,12,14H,4-5,8-9,11,17H2,1-3H3
InChIKeyCPOLLUXSYIQWOV-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-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

2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
N,N'-Di-o-tolylethylenediamine
CID 66759
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
2-(Pyrrolidin-1-yl)-5-(trifluoromethyl)aniline
CID 518751
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
CID 693288
2-Mepp
CID 91965
4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine
CID 16760588
Benzenamine, 3-methyl-4-(1-pyrrolidinyl)-, hydrochloride (1:1)
CID 109673
1-(2-Ethylphenyl)piperazine
CID 2736460
1-(Cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine
CID 782498
N,N'-Ethylenedi-m-toluidine
CID 81493

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine (CID 113333796) is 2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine is Cc1cccc(N)c1N(CC(C)C)C1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine?
The InChIKey is CPOLLUXSYIQWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)11-18(14-8-4-5-9-14)16-13(3)7-6-10-15(16)17/h6-7,10,12,14H,4-5,8-9,11,17H2,1-3H3.
What are the key properties of 2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine?
2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 113333796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).