2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine

C20H26N2 — CID 178096856

IUPAC2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine
SMILESCc1ccc(NC2CCCCC2)c(NCc2ccccc2)c1
InChIInChI=1S/C20H26N2/c1-16-12-13-19(22-18-10-6-3-7-11-18)20(14-16)21-15-17-8-4-2-5-9-17/h2,4-5,8-9,12-14,18,21-22H,3,6-7,10-11,15H2,1H3
InChIKeyMTQYWDADPKTFFF-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.35
Rot. Bonds5

About 2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine

2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine (PubChem CID 178096856) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine
PubChem CID178096856
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine
SMILESCc1ccc(NC2CCCCC2)c(NCc2ccccc2)c1
InChIInChI=1S/C20H26N2/c1-16-12-13-19(22-18-10-6-3-7-11-18)20(14-16)21-15-17-8-4-2-5-9-17/h2,4-5,8-9,12-14,18,21-22H,3,6-7,10-11,15H2,1H3
InChIKeyMTQYWDADPKTFFF-UHFFFAOYSA-N
XLogP5.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-Di-o-tolylethylenediamine
CID 66759
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
LY-165163
CID 121930
4,4'-Methylenebis(N-methylaniline)
CID 15735
N-Phenyl-1-(phenylmethyl)-4-piperidinamine
CID 70865
N-(3-Methylphenyl)benzenemethanamine
CID 222281
N-phenyl-1-(2-phenylethyl)-4-piperidinamine
CID 88890
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
CID 693288
1-N-(4-methylphenyl)benzene-1,2-diamine
CID 2331656
alpha,alpha'-Dianilino-p-xylene
CID 607368
1-(3,4-Xylyl)piperazine
CID 2723782

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine (CID 178096856) is 2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine is Cc1ccc(NC2CCCCC2)c(NCc2ccccc2)c1.
What is the InChIKey of 2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine?
The InChIKey is MTQYWDADPKTFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-16-12-13-19(22-18-10-6-3-7-11-18)20(14-16)21-15-17-8-4-2-5-9-17/h2,4-5,8-9,12-14,18,21-22H,3,6-7,10-11,15H2,1H3.
What are the key properties of 2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine?
2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine has a molecular weight of 294.44 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 178096856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).