1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide

C12H26IN3O — CID 111990596

IUPAC1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCO)NC1CCCC(C)C1.I
InChIInChI=1S/C12H25N3O.HI/c1-3-13-12(14-7-8-16)15-11-6-4-5-10(2)9-11;/h10-11,16H,3-9H2,1-2H3,(H2,13,14,15);1H
InChIKeyWJBGCGNDXOBTFL-UHFFFAOYSA-N
MW355.26 g/mol
LogP1.73
Rot. Bonds4

About 1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide

1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide (PubChem CID 111990596) has the molecular formula C12H26IN3O and a molecular weight of 355.26 g/mol. Its IUPAC name is 1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide
PubChem CID111990596
Molecular FormulaC12H26IN3O
Molecular Weight355.26 g/mol
Exact Mass355.11
IUPAC Name1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCO)NC1CCCC(C)C1.I
InChIInChI=1S/C12H25N3O.HI/c1-3-13-12(14-7-8-16)15-11-6-4-5-10(2)9-11;/h10-11,16H,3-9H2,1-2H3,(H2,13,14,15);1H
InChIKeyWJBGCGNDXOBTFL-UHFFFAOYSA-N
XLogP1.73
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 51.73
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

2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine
CID 111990657
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(3-methylcyclohexyl)guanidine;hydroiodide
CID 110054555
2-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine;hydroiodide
CID 109394247
1-ethyl-3-(3-methylcyclohexyl)-2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111991542
1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604591
1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide
CID 111790884
1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine
CID 122691164
3-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110992518
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine;hydroiodide
CID 111991044
1-(2-hydroxyethyl)-3-(3-methylcyclohexyl)thiourea
CID 18621688
1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
CID 111991889
1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 110990933

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide (CID 111990596) is 1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide is CCN/C(=N\CCO)NC1CCCC(C)C1.I.
What is the InChIKey of 1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide?
The InChIKey is WJBGCGNDXOBTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.HI/c1-3-13-12(14-7-8-16)15-11-6-4-5-10(2)9-11;/h10-11,16H,3-9H2,1-2H3,(H2,13,14,15);1H.
What are the key properties of 1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide?
1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide has a molecular weight of 355.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide is sourced from PubChem (CID 111990596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).