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

C9H19N3O — CID 62364592

IUPAC2-ethyl-1-(4-hydroxycyclohexyl)guanidine
SMILESCC/N=C(\N)NC1CCC(O)CC1
InChIInChI=1S/C9H19N3O/c1-2-11-9(10)12-7-3-5-8(13)6-4-7/h7-8,13H,2-6H2,1H3,(H3,10,11,12)
InChIKeyUFXAJMBRXSCRPH-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.21
Rot. Bonds2

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

2-ethyl-1-(4-hydroxycyclohexyl)guanidine (PubChem CID 62364592) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-ethyl-1-(4-hydroxycyclohexyl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(4-hydroxycyclohexyl)guanidine
PubChem CID62364592
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-ethyl-1-(4-hydroxycyclohexyl)guanidine
SMILESCC/N=C(\N)NC1CCC(O)CC1
InChIInChI=1S/C9H19N3O/c1-2-11-9(10)12-7-3-5-8(13)6-4-7/h7-8,13H,2-6H2,1H3,(H3,10,11,12)
InChIKeyUFXAJMBRXSCRPH-UHFFFAOYSA-N
XLogP0.21
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.21
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-hydroxycyclohexyl)guanidine?
The IUPAC name of 2-ethyl-1-(4-hydroxycyclohexyl)guanidine (CID 62364592) is 2-ethyl-1-(4-hydroxycyclohexyl)guanidine.
What is the SMILES notation for 2-ethyl-1-(4-hydroxycyclohexyl)guanidine?
The canonical SMILES for 2-ethyl-1-(4-hydroxycyclohexyl)guanidine is CC/N=C(\N)NC1CCC(O)CC1.
What is the InChIKey of 2-ethyl-1-(4-hydroxycyclohexyl)guanidine?
The InChIKey is UFXAJMBRXSCRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-11-9(10)12-7-3-5-8(13)6-4-7/h7-8,13H,2-6H2,1H3,(H3,10,11,12).
What are the key properties of 2-ethyl-1-(4-hydroxycyclohexyl)guanidine?
2-ethyl-1-(4-hydroxycyclohexyl)guanidine has a molecular weight of 185.27 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-hydroxycyclohexyl)guanidine is sourced from PubChem (CID 62364592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).