1-cyclohexyl-2-(2-ethoxyethyl)guanidine

C11H23N3O — CID 62363423

IUPAC1-cyclohexyl-2-(2-ethoxyethyl)guanidine
SMILESCCOCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C11H23N3O/c1-2-15-9-8-13-11(12)14-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H3,12,13,14)
InChIKeyLMPPIUQBOPZIIZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds5

About 1-cyclohexyl-2-(2-ethoxyethyl)guanidine

1-cyclohexyl-2-(2-ethoxyethyl)guanidine (PubChem CID 62363423) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-ethoxyethyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-ethoxyethyl)guanidine
PubChem CID62363423
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-cyclohexyl-2-(2-ethoxyethyl)guanidine
SMILESCCOCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C11H23N3O/c1-2-15-9-8-13-11(12)14-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H3,12,13,14)
InChIKeyLMPPIUQBOPZIIZ-UHFFFAOYSA-N
XLogP1.26
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 62367717
2-(3-butoxypropyl)-1-cyclopentylguanidine
CID 113229344
1-cyclohexyl-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111671281
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-octylguanidine
CID 113337391
2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine
CID 62406041
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate
CID 62361877
1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine
CID 106248106
1-cyclohexyl-2-(3-hydroxybutyl)guanidine
CID 64911703
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-ethoxyethyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(2-ethoxyethyl)guanidine (CID 62363423) is 1-cyclohexyl-2-(2-ethoxyethyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(2-ethoxyethyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(2-ethoxyethyl)guanidine is CCOCC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-ethoxyethyl)guanidine?
The InChIKey is LMPPIUQBOPZIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-2-15-9-8-13-11(12)14-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H3,12,13,14).
What are the key properties of 1-cyclohexyl-2-(2-ethoxyethyl)guanidine?
1-cyclohexyl-2-(2-ethoxyethyl)guanidine has a molecular weight of 213.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-ethoxyethyl)guanidine is sourced from PubChem (CID 62363423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).