2-(3-phenylpropyl)guanidine

C10H15N3 — CID 3513127

IUPAC2-(3-phenylpropyl)guanidine
SMILESNC(N)=NCCCc1ccccc1
InChIInChI=1S/C10H15N3/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,11,12,13)
InChIKeyWIPPGLNWEIAUEV-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.89
Rot. Bonds4

About 2-(3-phenylpropyl)guanidine

2-(3-phenylpropyl)guanidine (PubChem CID 3513127) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(3-phenylpropyl)guanidine.

Molecular Properties

Compound Name2-(3-phenylpropyl)guanidine
PubChem CID3513127
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-(3-phenylpropyl)guanidine
SMILESNC(N)=NCCCc1ccccc1
InChIInChI=1S/C10H15N3/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,11,12,13)
InChIKeyWIPPGLNWEIAUEV-UHFFFAOYSA-N
XLogP0.89
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-phenylpropyl)guanidine 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 2-(3-phenylpropyl)guanidine?
The IUPAC name of 2-(3-phenylpropyl)guanidine (CID 3513127) is 2-(3-phenylpropyl)guanidine.
What is the SMILES notation for 2-(3-phenylpropyl)guanidine?
The canonical SMILES for 2-(3-phenylpropyl)guanidine is NC(N)=NCCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropyl)guanidine?
The InChIKey is WIPPGLNWEIAUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,11,12,13).
What are the key properties of 2-(3-phenylpropyl)guanidine?
2-(3-phenylpropyl)guanidine has a molecular weight of 177.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)guanidine is sourced from PubChem (CID 3513127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).