1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine

C19H25N3 — CID 91395297

IUPAC1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine
SMILESNc1ccc(N(CC2CCCCC2)c2ccccc2)c(N)c1
InChIInChI=1S/C19H25N3/c20-16-11-12-19(18(21)13-16)22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h2,5-6,9-13,15H,1,3-4,7-8,14,20-21H2
InChIKeyBNHOLOPFHXECGP-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.57
Rot. Bonds4

About 1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine

1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine (PubChem CID 91395297) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine
PubChem CID91395297
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine
SMILESNc1ccc(N(CC2CCCCC2)c2ccccc2)c(N)c1
InChIInChI=1S/C19H25N3/c20-16-11-12-19(18(21)13-16)22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h2,5-6,9-13,15H,1,3-4,7-8,14,20-21H2
InChIKeyBNHOLOPFHXECGP-UHFFFAOYSA-N
XLogP4.57
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine?
The IUPAC name of 1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine (CID 91395297) is 1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine.
What is the SMILES notation for 1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine?
The canonical SMILES for 1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine is Nc1ccc(N(CC2CCCCC2)c2ccccc2)c(N)c1.
What is the InChIKey of 1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine?
The InChIKey is BNHOLOPFHXECGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c20-16-11-12-19(18(21)13-16)22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h2,5-6,9-13,15H,1,3-4,7-8,14,20-21H2.
What are the key properties of 1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine?
1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine has a molecular weight of 295.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine is sourced from PubChem (CID 91395297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).