1-cyclohexyl-2-(3-hydroxybutyl)guanidine

C11H23N3O — CID 64911703

IUPAC1-cyclohexyl-2-(3-hydroxybutyl)guanidine
SMILESCC(O)CC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C11H23N3O/c1-9(15)7-8-13-11(12)14-10-5-3-2-4-6-10/h9-10,15H,2-8H2,1H3,(H3,12,13,14)
InChIKeyUFQNDVNSOMABMJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.99
Rot. Bonds4

About 1-cyclohexyl-2-(3-hydroxybutyl)guanidine

1-cyclohexyl-2-(3-hydroxybutyl)guanidine (PubChem CID 64911703) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3-hydroxybutyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(3-hydroxybutyl)guanidine
PubChem CID64911703
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-cyclohexyl-2-(3-hydroxybutyl)guanidine
SMILESCC(O)CC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C11H23N3O/c1-9(15)7-8-13-11(12)14-10-5-3-2-4-6-10/h9-10,15H,2-8H2,1H3,(H3,12,13,14)
InChIKeyUFQNDVNSOMABMJ-UHFFFAOYSA-N
XLogP0.99
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.99
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-cyclohexyl-2-(5-methylhexyl)guanidine
CID 79479082
1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine
CID 106248106
1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine
CID 119120931
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509
1-cyclohexyl-2-octylguanidine
CID 113337391
1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine
CID 131134548
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide
CID 119120960
propan-2-yl 4-[[amino-(cyclohexylamino)methylidene]amino]butanoate;hydroiodide
CID 110062086

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3-hydroxybutyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(3-hydroxybutyl)guanidine (CID 64911703) is 1-cyclohexyl-2-(3-hydroxybutyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(3-hydroxybutyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(3-hydroxybutyl)guanidine is CC(O)CC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3-hydroxybutyl)guanidine?
The InChIKey is UFQNDVNSOMABMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(15)7-8-13-11(12)14-10-5-3-2-4-6-10/h9-10,15H,2-8H2,1H3,(H3,12,13,14).
What are the key properties of 1-cyclohexyl-2-(3-hydroxybutyl)guanidine?
1-cyclohexyl-2-(3-hydroxybutyl)guanidine has a molecular weight of 213.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3-hydroxybutyl)guanidine is sourced from PubChem (CID 64911703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).