2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine

C14H25N3 — CID 163790181

IUPAC2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
SMILESCNCCCCCCNc1ccc(N)c(C)c1
InChIInChI=1S/C14H25N3/c1-12-11-13(7-8-14(12)15)17-10-6-4-3-5-9-16-2/h7-8,11,16-17H,3-6,9-10,15H2,1-2H3
InChIKeyMVZRPPHKXDBHQE-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.77
Rot. Bonds8

About 2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine

2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine (PubChem CID 163790181) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
PubChem CID163790181
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
SMILESCNCCCCCCNc1ccc(N)c(C)c1
InChIInChI=1S/C14H25N3/c1-12-11-13(7-8-14(12)15)17-10-6-4-3-5-9-16-2/h7-8,11,16-17H,3-6,9-10,15H2,1-2H3
InChIKeyMVZRPPHKXDBHQE-UHFFFAOYSA-N
XLogP2.77
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-4-N-[6-(methylamino)hexyl]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

Related Compounds

4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
2-methyl-4-N-(4-methylpentyl)benzene-1,4-diamine
CID 63004629
4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838
2-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234
N-heptyl-3,4-dimethylaniline
CID 43129292
N'-(3,4-dimethylphenyl)butane-1,4-diamine
CID 94253623
bis[3-(4-amino-3-methylanilino)propyl]-methyl-propylazanium;carbanide
CID 157300154
3-(4-amino-3-methylanilino)propyl-methyl-propylazanium;2-methyl-4-N-propylbenzene-1,4-diamine
CID 144516192
4-bromo-N-hexyl-3-methylaniline
CID 28877172
2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
CID 23104585
N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 59230672
4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine
CID 63826013

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine (CID 163790181) is 2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine is CNCCCCCCNc1ccc(N)c(C)c1.
What is the InChIKey of 2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine?
The InChIKey is MVZRPPHKXDBHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12-11-13(7-8-14(12)15)17-10-6-4-3-5-9-16-2/h7-8,11,16-17H,3-6,9-10,15H2,1-2H3.
What are the key properties of 2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine?
2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine is sourced from PubChem (CID 163790181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).