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

C13H20N2 — CID 62589807

IUPAC4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1NC1(C)CCCC1
InChIInChI=1S/C13H20N2/c1-10-5-6-11(14)9-12(10)15-13(2)7-3-4-8-13/h5-6,9,15H,3-4,7-8,14H2,1-2H3
InChIKeyZVPAEDAHBSULMZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.32
Rot. Bonds2

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

4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine (PubChem CID 62589807) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine
PubChem CID62589807
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1NC1(C)CCCC1
InChIInChI=1S/C13H20N2/c1-10-5-6-11(14)9-12(10)15-13(2)7-3-4-8-13/h5-6,9,15H,3-4,7-8,14H2,1-2H3
InChIKeyZVPAEDAHBSULMZ-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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

2-(difluoromethyl)-1-N-(1-methylcyclohexyl)benzene-1,4-diamine
CID 63733942
4-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 62590491
methyl 5-amino-2-[(1-methylcyclopentyl)amino]benzoate
CID 64688672
N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide
CID 129046716
4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine
CID 79351630
2-N-(1-methylcyclopentyl)-1,3-benzoxazole-2,5-diamine
CID 79890493
3-N-cyclooctyl-4-methylbenzene-1,3-diamine
CID 62590310
3-N-(1-methylcyclopentyl)pyridine-2,3-diamine
CID 104540031
3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine
CID 115506691
3-N-(3-ethylpentan-3-yl)-4-methylbenzene-1,3-diamine
CID 65039934
3-N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-4-methylbenzene-1,3-diamine
CID 141160011
1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine (CID 62589807) is 4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine is Cc1ccc(N)cc1NC1(C)CCCC1.
What is the InChIKey of 4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine?
The InChIKey is ZVPAEDAHBSULMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-5-6-11(14)9-12(10)15-13(2)7-3-4-8-13/h5-6,9,15H,3-4,7-8,14H2,1-2H3.
What are the key properties of 4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine?
4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine is sourced from PubChem (CID 62589807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).