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

C14H29N3O — CID 111190548

IUPAC1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
SMILESCCN/C(=N\CCC(C)C)NC1CCC(O)CC1
InChIInChI=1S/C14H29N3O/c1-4-15-14(16-10-9-11(2)3)17-12-5-7-13(18)8-6-12/h11-13,18H,4-10H2,1-3H3,(H2,15,16,17)
InChIKeyKAZHLJMEMWHXSD-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.89
Rot. Bonds5

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

1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine (PubChem CID 111190548) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
PubChem CID111190548
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
SMILESCCN/C(=N\CCC(C)C)NC1CCC(O)CC1
InChIInChI=1S/C14H29N3O/c1-4-15-14(16-10-9-11(2)3)17-12-5-7-13(18)8-6-12/h11-13,18H,4-10H2,1-3H3,(H2,15,16,17)
InChIKeyKAZHLJMEMWHXSD-UHFFFAOYSA-N
XLogP1.89
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.89
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'}

Analyze 1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-ethyl-2-(4-methylpentyl)guanidine;hydroiodide
CID 110987969
1-ethyl-2-(3-methylbutyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111018419
1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190892
2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190741
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111190416
1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111979471
2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190048
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-(3-methylbutyl)guanidine
CID 111143342
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979003
tert-butyl N-[4-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]butan-2-yl]-N-methylcarbamate;hydroiodide
CID 111979080
2-(3-butoxypropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189864
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(oxolan-2-yl)ethyl]guanidine
CID 111190166

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine?
The IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine (CID 111190548) is 1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine?
The canonical SMILES for 1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine is CCN/C(=N\CCC(C)C)NC1CCC(O)CC1.
What is the InChIKey of 1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine?
The InChIKey is KAZHLJMEMWHXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-15-14(16-10-9-11(2)3)17-12-5-7-13(18)8-6-12/h11-13,18H,4-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine?
1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine has a molecular weight of 255.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine is sourced from PubChem (CID 111190548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).