2-octyl-1-(2-phenylethyl)guanidine

C17H29N3 — CID 10903026

IUPAC2-octyl-1-(2-phenylethyl)guanidine
SMILESCCCCCCCC/N=C(\N)NCCc1ccccc1
InChIInChI=1S/C17H29N3/c1-2-3-4-5-6-10-14-19-17(18)20-15-13-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3,(H3,18,19,20)
InChIKeyKINZIZGSDVZQHA-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.49
Rot. Bonds10

About 2-octyl-1-(2-phenylethyl)guanidine

2-octyl-1-(2-phenylethyl)guanidine (PubChem CID 10903026) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-octyl-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-octyl-1-(2-phenylethyl)guanidine
PubChem CID10903026
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-octyl-1-(2-phenylethyl)guanidine
SMILESCCCCCCCC/N=C(\N)NCCc1ccccc1
InChIInChI=1S/C17H29N3/c1-2-3-4-5-6-10-14-19-17(18)20-15-13-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3,(H3,18,19,20)
InChIKeyKINZIZGSDVZQHA-UHFFFAOYSA-N
XLogP3.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.49
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-octyl-1-(2-phenylethyl)guanidine with MolForge

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

Launch Full Analysis

Related Compounds

2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
1,2-bis(2-phenylethyl)guanidine
CID 111022877
2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine
CID 111022885
2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine
CID 10991060
2-octyl-1-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111024273
2-[3-(diethylamino)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111025347
2-octyl-1-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111024272
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-octylguanidine
CID 111042104
1-[2-(2,6-difluorophenyl)ethyl]-2-hexylguanidine
CID 111060701
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111066358

Frequently Asked Questions

What is the IUPAC name of 2-octyl-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-octyl-1-(2-phenylethyl)guanidine (CID 10903026) is 2-octyl-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-octyl-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-octyl-1-(2-phenylethyl)guanidine is CCCCCCCC/N=C(\N)NCCc1ccccc1.
What is the InChIKey of 2-octyl-1-(2-phenylethyl)guanidine?
The InChIKey is KINZIZGSDVZQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-3-4-5-6-10-14-19-17(18)20-15-13-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3,(H3,18,19,20).
What are the key properties of 2-octyl-1-(2-phenylethyl)guanidine?
2-octyl-1-(2-phenylethyl)guanidine has a molecular weight of 275.44 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 10903026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).