4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine

C14H22N2 — CID 79862138

IUPAC4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(NC2CCCC2(C)C)ccc1N
InChIInChI=1S/C14H22N2/c1-10-9-11(6-7-12(10)15)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8,15H2,1-3H3
InChIKeyBPZBZBFDKQQZEH-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.57
Rot. Bonds2

About 4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine

4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine (PubChem CID 79862138) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
PubChem CID79862138
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(NC2CCCC2(C)C)ccc1N
InChIInChI=1S/C14H22N2/c1-10-9-11(6-7-12(10)15)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8,15H2,1-3H3
InChIKeyBPZBZBFDKQQZEH-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-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-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79872672
1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297673
N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline
CID 79834976
4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194
3-chloro-N-(2,2-dimethylcyclopentyl)aniline
CID 79865179
5-N-(2,2-dimethylcyclopentyl)pyridine-3,5-diamine
CID 104535281
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine
CID 79860294
N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
CID 79860507
3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628567
3-bromo-N-(2,2-dimethylcyclopentyl)-4-(trifluoromethoxy)aniline
CID 107335998
[3-[(2,2-dimethylcyclopentyl)amino]phenyl]methanol
CID 79859836

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine (CID 79862138) is 4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine is Cc1cc(NC2CCCC2(C)C)ccc1N.
What is the InChIKey of 4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine?
The InChIKey is BPZBZBFDKQQZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-9-11(6-7-12(10)15)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8,15H2,1-3H3.
What are the key properties of 4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine?
4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 79862138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).