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

C15H31N3O — CID 111979471

IUPAC1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CC(CC)CC)NC1CCC(O)CC1
InChIInChI=1S/C15H31N3O/c1-4-12(5-2)11-17-15(16-6-3)18-13-7-9-14(19)10-8-13/h12-14,19H,4-11H2,1-3H3,(H2,16,17,18)
InChIKeyRCGLHQRPGJVJOO-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.28
Rot. Bonds6

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

1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine (PubChem CID 111979471) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine
PubChem CID111979471
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CC(CC)CC)NC1CCC(O)CC1
InChIInChI=1S/C15H31N3O/c1-4-12(5-2)11-17-15(16-6-3)18-13-7-9-14(19)10-8-13/h12-14,19H,4-11H2,1-3H3,(H2,16,17,18)
InChIKeyRCGLHQRPGJVJOO-UHFFFAOYSA-N
XLogP2.28
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide
CID 111979226
2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190048
2-[2-[(3-bromophenyl)methyl]butyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979336
N-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide
CID 111996485
1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
CID 111190548
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111190435
1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190892
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111190416
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111189500
2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111189717
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111189715
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111979338

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine (CID 111979471) is 1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine is CCN/C(=N\CC(CC)CC)NC1CCC(O)CC1.
What is the InChIKey of 1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine?
The InChIKey is RCGLHQRPGJVJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-12(5-2)11-17-15(16-6-3)18-13-7-9-14(19)10-8-13/h12-14,19H,4-11H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine?
1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine has a molecular weight of 269.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine is sourced from PubChem (CID 111979471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).