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

C13H20N2 — CID 115550519

IUPAC3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
SMILESCc1cccc(N)c1NC1CCCC1C
InChIInChI=1S/C13H20N2/c1-9-5-4-8-12(9)15-13-10(2)6-3-7-11(13)14/h3,6-7,9,12,15H,4-5,8,14H2,1-2H3
InChIKeyAETHPHHJQGRXGH-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.18
Rot. Bonds2

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

3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine (PubChem CID 115550519) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
PubChem CID115550519
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
SMILESCc1cccc(N)c1NC1CCCC1C
InChIInChI=1S/C13H20N2/c1-9-5-4-8-12(9)15-13-10(2)6-3-7-11(13)14/h3,6-7,9,12,15H,4-5,8,14H2,1-2H3
InChIKeyAETHPHHJQGRXGH-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': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(2,4-dimethylcyclohexyl)-3-methylbenzene-1,2-diamine
CID 113333774
2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine
CID 115550239
3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile
CID 107106887
2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine
CID 115550589
2-N-cyclooctyl-3-methylbenzene-1,2-diamine
CID 115549944
2-N-(2-methylcyclopentyl)pyridine-2,3-diamine
CID 63278381
methyl 3-amino-2-[(2-methylcycloheptyl)amino]benzoate
CID 115935200
3-(2-amino-6-methylanilino)cyclobutan-1-ol
CID 115550663
4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine
CID 63278049
N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline
CID 174940718
2,6-dibromo-N-(2-methylcyclohexyl)aniline
CID 107597104
4-(2-amino-6-methylanilino)cyclohexan-1-ol
CID 104966691

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine?
The IUPAC name of 3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine (CID 115550519) is 3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine is Cc1cccc(N)c1NC1CCCC1C.
What is the InChIKey of 3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine?
The InChIKey is AETHPHHJQGRXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-5-4-8-12(9)15-13-10(2)6-3-7-11(13)14/h3,6-7,9,12,15H,4-5,8,14H2,1-2H3.
What are the key properties of 3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine?
3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-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 3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine is sourced from PubChem (CID 115550519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).