N'-(2-phenylpropyl)benzenecarboximidamide

C16H18N2 — CID 112689613

IUPACN'-(2-phenylpropyl)benzenecarboximidamide
SMILESCC(C/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2/c1-13(14-8-4-2-5-9-14)12-18-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H2,17,18)
InChIKeyQYTQCQMJVRYMAQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.20
Rot. Bonds4

About N'-(2-phenylpropyl)benzenecarboximidamide

N'-(2-phenylpropyl)benzenecarboximidamide (PubChem CID 112689613) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(2-phenylpropyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-phenylpropyl)benzenecarboximidamide
PubChem CID112689613
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN'-(2-phenylpropyl)benzenecarboximidamide
SMILESCC(C/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2/c1-13(14-8-4-2-5-9-14)12-18-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H2,17,18)
InChIKeyQYTQCQMJVRYMAQ-UHFFFAOYSA-N
XLogP3.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(2-phenylpropyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylpropyl)benzenecarboximidamide?
The IUPAC name of N'-(2-phenylpropyl)benzenecarboximidamide (CID 112689613) is N'-(2-phenylpropyl)benzenecarboximidamide.
What is the SMILES notation for N'-(2-phenylpropyl)benzenecarboximidamide?
The canonical SMILES for N'-(2-phenylpropyl)benzenecarboximidamide is CC(C/N=C(\N)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(2-phenylpropyl)benzenecarboximidamide?
The InChIKey is QYTQCQMJVRYMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-13(14-8-4-2-5-9-14)12-18-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H2,17,18).
What are the key properties of N'-(2-phenylpropyl)benzenecarboximidamide?
N'-(2-phenylpropyl)benzenecarboximidamide has a molecular weight of 238.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylpropyl)benzenecarboximidamide is sourced from PubChem (CID 112689613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).