4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine

C13H20N2 — CID 63278049

IUPAC4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine
SMILESCc1ccc(NC2CCCC2C)cc1N
InChIInChI=1S/C13H20N2/c1-9-6-7-11(8-12(9)14)15-13-5-3-4-10(13)2/h6-8,10,13,15H,3-5,14H2,1-2H3
InChIKeyRUCRVQWRGWIYOG-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.18
Rot. Bonds2

About 4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine

4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine (PubChem CID 63278049) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine
PubChem CID63278049
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine
SMILESCc1ccc(NC2CCCC2C)cc1N
InChIInChI=1S/C13H20N2/c1-9-6-7-11(8-12(9)14)15-13-5-3-4-10(13)2/h6-8,10,13,15H,3-5,14H2,1-2H3
InChIKeyRUCRVQWRGWIYOG-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine
CID 64738718
4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline
CID 65044046
1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone
CID 104612930
3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 115550519
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile
CID 107788162
2-chloro-4-[(2-methylcyclopentyl)amino]phenol
CID 107678036
4-methyl-1-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65472351
1-N-(2,3-dimethylcyclohexyl)-4-nitrobenzene-1,3-diamine
CID 106748927
4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 103590389
N-(2-methylcyclopentyl)-2H-benzotriazol-5-amine
CID 115770495

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine (CID 63278049) is 4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine is Cc1ccc(NC2CCCC2C)cc1N.
What is the InChIKey of 4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine?
The InChIKey is RUCRVQWRGWIYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-6-7-11(8-12(9)14)15-13-5-3-4-10(13)2/h6-8,10,13,15H,3-5,14H2,1-2H3.
What are the key properties of 4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine?
4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine is sourced from PubChem (CID 63278049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).