2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine

C13H25N3O — CID 111190784

IUPAC2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine
SMILESCC/N=C(/NC1CCC(O)CC1)NC1CC1C
InChIInChI=1S/C13H25N3O/c1-3-14-13(16-12-8-9(12)2)15-10-4-6-11(17)7-5-10/h9-12,17H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyMHXJTWYBALNCDN-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.25
Rot. Bonds3

About 2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine

2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine (PubChem CID 111190784) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine
PubChem CID111190784
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine
SMILESCC/N=C(/NC1CCC(O)CC1)NC1CC1C
InChIInChI=1S/C13H25N3O/c1-3-14-13(16-12-8-9(12)2)15-10-4-6-11(17)7-5-10/h9-12,17H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyMHXJTWYBALNCDN-UHFFFAOYSA-N
XLogP1.25
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.25
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-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979109
tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate
CID 109466566
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979108
1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111771151
2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine
CID 111195864
1-cyclopropyl-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318195
1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111979471
2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111834508
1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190892
1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
CID 111190548
1-cyclopropyl-2-ethyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111204031
1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine
CID 104885055

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine (CID 111190784) is 2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine is CC/N=C(/NC1CCC(O)CC1)NC1CC1C.
What is the InChIKey of 2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine?
The InChIKey is MHXJTWYBALNCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-14-13(16-12-8-9(12)2)15-10-4-6-11(17)7-5-10/h9-12,17H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine?
2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine has a molecular weight of 239.36 g/mol, XLogP of 1.25, 3 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)-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111190784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).