4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine

C19H24N2 — CID 155134226

IUPAC4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine
SMILESCN(c1ccc(N)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H24N2/c1-21(19-13-9-17(20)10-14-19)18-11-7-16(8-12-18)15-5-3-2-4-6-15/h7-15H,2-6,20H2,1H3
InChIKeyLTPOMPZMTRAKBO-UHFFFAOYSA-N
MW280.42 g/mol
LogP5.08
Rot. Bonds3

About 4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine

4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine (PubChem CID 155134226) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine
PubChem CID155134226
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine
SMILESCN(c1ccc(N)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H24N2/c1-21(19-13-9-17(20)10-14-19)18-11-7-16(8-12-18)15-5-3-2-4-6-15/h7-15H,2-6,20H2,1H3
InChIKeyLTPOMPZMTRAKBO-UHFFFAOYSA-N
XLogP5.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine (CID 155134226) is 4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine is CN(c1ccc(N)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine?
The InChIKey is LTPOMPZMTRAKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-21(19-13-9-17(20)10-14-19)18-11-7-16(8-12-18)15-5-3-2-4-6-15/h7-15H,2-6,20H2,1H3.
What are the key properties of 4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine?
4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine has a molecular weight of 280.42 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 155134226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).