1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine

C15H31N3O — CID 111190892

IUPAC1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCCCCC/N=C(\NCC)NC1CCC(O)CC1
InChIInChI=1S/C15H31N3O/c1-3-5-6-7-12-17-15(16-4-2)18-13-8-10-14(19)11-9-13/h13-14,19H,3-12H2,1-2H3,(H2,16,17,18)
InChIKeyVPYIBOYJCSMGFA-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.43
Rot. Bonds7

About 1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine

1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine (PubChem CID 111190892) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine
PubChem CID111190892
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCCCCC/N=C(\NCC)NC1CCC(O)CC1
InChIInChI=1S/C15H31N3O/c1-3-5-6-7-12-17-15(16-4-2)18-13-8-10-14(19)11-9-13/h13-14,19H,3-12H2,1-2H3,(H2,16,17,18)
InChIKeyVPYIBOYJCSMGFA-UHFFFAOYSA-N
XLogP2.43
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)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-(3-butoxypropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189864
1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine
CID 111190692
1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
CID 111190548
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111190416
1-ethyl-3-(4-hydroxycyclohexyl)-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111190319
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979003
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide
CID 111979226
2-[2-(4-butoxyphenyl)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190812
2-[3-[cyclohexyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190499
2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine
CID 111549121
1,3-dicyclohexyl-2-octylguanidine;hydrochloride
CID 14771737
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(oxolan-2-yl)ethyl]guanidine
CID 111190166

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine?
The IUPAC name of 1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine (CID 111190892) is 1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine.
What is the SMILES notation for 1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine?
The canonical SMILES for 1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine is CCCCCC/N=C(\NCC)NC1CCC(O)CC1.
What is the InChIKey of 1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine?
The InChIKey is VPYIBOYJCSMGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-5-6-7-12-17-15(16-4-2)18-13-8-10-14(19)11-9-13/h13-14,19H,3-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine?
1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine has a molecular weight of 269.43 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine is sourced from PubChem (CID 111190892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).