1-cyclohexyl-2-(2-phenylethyl)guanidine

C15H23N3 — CID 62364481

IUPAC1-cyclohexyl-2-(2-phenylethyl)guanidine
SMILESN/C(=N\CCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H23N3/c16-15(18-14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H3,16,17,18)
InChIKeyDEDNVNXTBNSWCH-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.47
Rot. Bonds4

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

1-cyclohexyl-2-(2-phenylethyl)guanidine (PubChem CID 62364481) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-phenylethyl)guanidine
PubChem CID62364481
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-cyclohexyl-2-(2-phenylethyl)guanidine
SMILESN/C(=N\CCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H23N3/c16-15(18-14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H3,16,17,18)
InChIKeyDEDNVNXTBNSWCH-UHFFFAOYSA-N
XLogP2.47
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride
CID 53307935
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111093612
1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 78989923
3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111631963
1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111422983
2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine
CID 111806872
1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine
CID 62364271
1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-phenylethyl)guanidine
CID 120671743
1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 120671742
1-cyclopropyl-2-(2-phenoxyethyl)guanidine
CID 62361569

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-phenylethyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(2-phenylethyl)guanidine (CID 62364481) is 1-cyclohexyl-2-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(2-phenylethyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(2-phenylethyl)guanidine is N/C(=N\CCc1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-phenylethyl)guanidine?
The InChIKey is DEDNVNXTBNSWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-15(18-14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H3,16,17,18).
What are the key properties of 1-cyclohexyl-2-(2-phenylethyl)guanidine?
1-cyclohexyl-2-(2-phenylethyl)guanidine has a molecular weight of 245.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-phenylethyl)guanidine is sourced from PubChem (CID 62364481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).