1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine

C19H24N2 — CID 154205278

IUPAC1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine
SMILESc1ccc(CNc2ccc(NC3CCCCC3)cc2)cc1
InChIInChI=1S/C19H24N2/c1-3-7-16(8-4-1)15-20-17-11-13-19(14-12-17)21-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,20-21H,2,5-6,9-10,15H2
InChIKeyZMTIVJVKBMXYFI-UHFFFAOYSA-N
MW280.42 g/mol
LogP5.04
Rot. Bonds5

About 1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine

1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine (PubChem CID 154205278) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine
PubChem CID154205278
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine
SMILESc1ccc(CNc2ccc(NC3CCCCC3)cc2)cc1
InChIInChI=1S/C19H24N2/c1-3-7-16(8-4-1)15-20-17-11-13-19(14-12-17)21-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,20-21H,2,5-6,9-10,15H2
InChIKeyZMTIVJVKBMXYFI-UHFFFAOYSA-N
XLogP5.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.42
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine?
The IUPAC name of 1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine (CID 154205278) is 1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine?
The canonical SMILES for 1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine is c1ccc(CNc2ccc(NC3CCCCC3)cc2)cc1.
What is the InChIKey of 1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine?
The InChIKey is ZMTIVJVKBMXYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-3-7-16(8-4-1)15-20-17-11-13-19(14-12-17)21-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,20-21H,2,5-6,9-10,15H2.
What are the key properties of 1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine?
1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine has a molecular weight of 280.42 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine is sourced from PubChem (CID 154205278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).