1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine

C12H25N3O2 — CID 106248106

IUPAC1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine
SMILESCOCC(O)CC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C12H25N3O2/c1-17-9-11(16)7-8-14-12(13)15-10-5-3-2-4-6-10/h10-11,16H,2-9H2,1H3,(H3,13,14,15)
InChIKeyOIAASCATXOGPJL-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.62
Rot. Bonds6

About 1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine

1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine (PubChem CID 106248106) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine
PubChem CID106248106
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine
SMILESCOCC(O)CC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C12H25N3O2/c1-17-9-11(16)7-8-14-12(13)15-10-5-3-2-4-6-10/h10-11,16H,2-9H2,1H3,(H3,13,14,15)
InChIKeyOIAASCATXOGPJL-UHFFFAOYSA-N
XLogP0.62
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-cyclohexyl-2-(3-hydroxybutyl)guanidine
CID 64911703
1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 62367717
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
1-cyclohexyl-2-(5-methylhexyl)guanidine
CID 79479082
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
2-(3-butoxypropyl)-1-cyclopentylguanidine
CID 113229344
1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine
CID 119120931
1-cyclohexyl-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111671281
1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
CID 62363573

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine (CID 106248106) is 1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine is COCC(O)CC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine?
The InChIKey is OIAASCATXOGPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-17-9-11(16)7-8-14-12(13)15-10-5-3-2-4-6-10/h10-11,16H,2-9H2,1H3,(H3,13,14,15).
What are the key properties of 1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine?
1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine has a molecular weight of 243.35 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine is sourced from PubChem (CID 106248106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).