1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide

C18H38IN3O — CID 111979226

IUPAC1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide
SMILESCCCCC(CCC)C/N=C(\NCC)NC1CCC(O)CC1.I
InChIInChI=1S/C18H37N3O.HI/c1-4-7-9-15(8-5-2)14-20-18(19-6-3)21-16-10-12-17(22)13-11-16;/h15-17,22H,4-14H2,1-3H3,(H2,19,20,21);1H
InChIKeyVMHHWHDZGVYPQC-UHFFFAOYSA-N
MW439.43 g/mol
LogP4.07
Rot. Bonds9

About 1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide

1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide (PubChem CID 111979226) has the molecular formula C18H38IN3O and a molecular weight of 439.43 g/mol. Its IUPAC name is 1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide
PubChem CID111979226
Molecular FormulaC18H38IN3O
Molecular Weight439.43 g/mol
Exact Mass439.21
IUPAC Name1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide
SMILESCCCCC(CCC)C/N=C(\NCC)NC1CCC(O)CC1.I
InChIInChI=1S/C18H37N3O.HI/c1-4-7-9-15(8-5-2)14-20-18(19-6-3)21-16-10-12-17(22)13-11-16;/h15-17,22H,4-14H2,1-3H3,(H2,19,20,21);1H
InChIKeyVMHHWHDZGVYPQC-UHFFFAOYSA-N
XLogP4.07
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 54.07
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111979471
1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190892
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111789913
2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190048
1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
CID 111190548
2-(3-butoxypropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189864
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111789914
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111190435
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111189715
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(4-methylcyclohexyl)guanidine
CID 111789890
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111190257
1-cyclopropyl-3-ethyl-2-(4-methylpentyl)guanidine;hydroiodide
CID 110987969

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide (CID 111979226) is 1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide is CCCCC(CCC)C/N=C(\NCC)NC1CCC(O)CC1.I.
What is the InChIKey of 1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide?
The InChIKey is VMHHWHDZGVYPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O.HI/c1-4-7-9-15(8-5-2)14-20-18(19-6-3)21-16-10-12-17(22)13-11-16;/h15-17,22H,4-14H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide?
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide has a molecular weight of 439.43 g/mol, XLogP of 4.07, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide is sourced from PubChem (CID 111979226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).