4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine

C15H26N2 — CID 43676865

IUPAC4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine
SMILESCCCC(C)CNc1ccc(N(C)C)cc1C
InChIInChI=1S/C15H26N2/c1-6-7-12(2)11-16-15-9-8-14(17(4)5)10-13(15)3/h8-10,12,16H,6-7,11H2,1-5H3
InChIKeyAAOKDPDPBQVGRA-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.91
Rot. Bonds6

About 4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine

4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine (PubChem CID 43676865) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine
PubChem CID43676865
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine
SMILESCCCC(C)CNc1ccc(N(C)C)cc1C
InChIInChI=1S/C15H26N2/c1-6-7-12(2)11-16-15-9-8-14(17(4)5)10-13(15)3/h8-10,12,16H,6-7,11H2,1-5H3
InChIKeyAAOKDPDPBQVGRA-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-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

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine (CID 43676865) is 4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine is CCCC(C)CNc1ccc(N(C)C)cc1C.
What is the InChIKey of 4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine?
The InChIKey is AAOKDPDPBQVGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-7-12(2)11-16-15-9-8-14(17(4)5)10-13(15)3/h8-10,12,16H,6-7,11H2,1-5H3.
What are the key properties of 4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine?
4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine is sourced from PubChem (CID 43676865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).