2-hexyl-1-(2-phenylethyl)guanidine

C15H25N3 — CID 111022881

IUPAC2-hexyl-1-(2-phenylethyl)guanidine
SMILESCCCCCC/N=C(\N)NCCc1ccccc1
InChIInChI=1S/C15H25N3/c1-2-3-4-8-12-17-15(16)18-13-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H3,16,17,18)
InChIKeyIKZPFHYDOUBFAH-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.71
Rot. Bonds8

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

2-hexyl-1-(2-phenylethyl)guanidine (PubChem CID 111022881) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-hexyl-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-hexyl-1-(2-phenylethyl)guanidine
PubChem CID111022881
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-hexyl-1-(2-phenylethyl)guanidine
SMILESCCCCCC/N=C(\N)NCCc1ccccc1
InChIInChI=1S/C15H25N3/c1-2-3-4-8-12-17-15(16)18-13-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H3,16,17,18)
InChIKeyIKZPFHYDOUBFAH-UHFFFAOYSA-N
XLogP2.71
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.71
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'}

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Related Compounds

2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
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-hexyl-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-hexyl-1-(2-phenylethyl)guanidine (CID 111022881) is 2-hexyl-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-hexyl-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-hexyl-1-(2-phenylethyl)guanidine is CCCCCC/N=C(\N)NCCc1ccccc1.
What is the InChIKey of 2-hexyl-1-(2-phenylethyl)guanidine?
The InChIKey is IKZPFHYDOUBFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-3-4-8-12-17-15(16)18-13-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H3,16,17,18).
What are the key properties of 2-hexyl-1-(2-phenylethyl)guanidine?
2-hexyl-1-(2-phenylethyl)guanidine has a molecular weight of 247.39 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111022881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).