4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine

C15H24N2 — CID 130222002

IUPAC4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine
SMILESC=Cc1c(C(C)CC(C)C)cc(N)c(C)c1N
InChIInChI=1S/C15H24N2/c1-6-12-13(10(4)7-9(2)3)8-14(16)11(5)15(12)17/h6,8-10H,1,7,16-17H2,2-5H3
InChIKeyFKJUCVUPZIXOTK-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.95
Rot. Bonds4

About 4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine

4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine (PubChem CID 130222002) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine
PubChem CID130222002
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine
SMILESC=Cc1c(C(C)CC(C)C)cc(N)c(C)c1N
InChIInChI=1S/C15H24N2/c1-6-12-13(10(4)7-9(2)3)8-14(16)11(5)15(12)17/h6,8-10H,1,7,16-17H2,2-5H3
InChIKeyFKJUCVUPZIXOTK-UHFFFAOYSA-N
XLogP3.95
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-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

4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine
CID 87682930
2-hept-4-enyl-4-(4-methylpentan-2-yl)benzene-1,3-diamine
CID 69081335
3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372033
3-amino-4,5-dimethyl-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116631
3-(4-methylpentan-2-yl)aniline
CID 15215881
2-(4-methylpentan-2-yl)benzene-1,3-diamine
CID 68636836
4-[[4-amino-3,5-di(butan-2-yl)phenyl]methyl]-2,6-di(butan-2-yl)aniline
CID 18538234
3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 79889407
5-butan-2-yl-2,3-diethylbenzene-1,4-diamine
CID 87165746
3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43498714
1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 86666923
2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline
CID 142851551

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine?
The IUPAC name of 4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine (CID 130222002) is 4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine?
The canonical SMILES for 4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine is C=Cc1c(C(C)CC(C)C)cc(N)c(C)c1N.
What is the InChIKey of 4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine?
The InChIKey is FKJUCVUPZIXOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-12-13(10(4)7-9(2)3)8-14(16)11(5)15(12)17/h6,8-10H,1,7,16-17H2,2-5H3.
What are the key properties of 4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine?
4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 130222002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).