2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine

C15H24N2 — CID 55013391

IUPAC2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine
SMILESCc1cc(NCC2CCCCC2C)ccc1N
InChIInChI=1S/C15H24N2/c1-11-5-3-4-6-13(11)10-17-14-7-8-15(16)12(2)9-14/h7-9,11,13,17H,3-6,10,16H2,1-2H3
InChIKeyMAKRIKBOYAAVLJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.82
Rot. Bonds3

About 2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine

2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine (PubChem CID 55013391) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine
PubChem CID55013391
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine
SMILESCc1cc(NCC2CCCCC2C)ccc1N
InChIInChI=1S/C15H24N2/c1-11-5-3-4-6-13(11)10-17-14-7-8-15(16)12(2)9-14/h7-9,11,13,17H,3-6,10,16H2,1-2H3
InChIKeyMAKRIKBOYAAVLJ-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine (CID 55013391) is 2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine is Cc1cc(NCC2CCCCC2C)ccc1N.
What is the InChIKey of 2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine?
The InChIKey is MAKRIKBOYAAVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-5-3-4-6-13(11)10-17-14-7-8-15(16)12(2)9-14/h7-9,11,13,17H,3-6,10,16H2,1-2H3.
What are the key properties of 2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine?
2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 55013391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).