1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine

C15H31N3O2 — CID 111190692

IUPAC1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine
SMILESCCN/C(=N\CCCCCOC)NC1CCC(O)CC1
InChIInChI=1S/C15H31N3O2/c1-3-16-15(17-11-5-4-6-12-20-2)18-13-7-9-14(19)10-8-13/h13-14,19H,3-12H2,1-2H3,(H2,16,17,18)
InChIKeyCFSFIYTUVJJCAC-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.66
Rot. Bonds8

About 1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine

1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine (PubChem CID 111190692) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine
PubChem CID111190692
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine
SMILESCCN/C(=N\CCCCCOC)NC1CCC(O)CC1
InChIInChI=1S/C15H31N3O2/c1-3-16-15(17-11-5-4-6-12-20-2)18-13-7-9-14(19)10-8-13/h13-14,19H,3-12H2,1-2H3,(H2,16,17,18)
InChIKeyCFSFIYTUVJJCAC-UHFFFAOYSA-N
XLogP1.66
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190892
2-(3-butoxypropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189864
1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110989253
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979003
1-ethyl-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018414
1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
CID 111190548
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111189936
1-cyclohexyl-2-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 110957459
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111190416
1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110988571
1-ethyl-3-(4-hydroxycyclohexyl)-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111190319
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111190623

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine?
The IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine (CID 111190692) is 1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine?
The canonical SMILES for 1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine is CCN/C(=N\CCCCCOC)NC1CCC(O)CC1.
What is the InChIKey of 1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine?
The InChIKey is CFSFIYTUVJJCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-3-16-15(17-11-5-4-6-12-20-2)18-13-7-9-14(19)10-8-13/h13-14,19H,3-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine?
1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine has a molecular weight of 285.43 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine is sourced from PubChem (CID 111190692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).