1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine

C11H24N4O — CID 104886365

IUPAC1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine
SMILESCCN/C(=N\CCOC1CCCCC1)NN
InChIInChI=1S/C11H24N4O/c1-2-13-11(15-12)14-8-9-16-10-6-4-3-5-7-10/h10H,2-9,12H2,1H3,(H2,13,14,15)
InChIKeyZSANQTLYCSXAAH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.76
Rot. Bonds5

About 1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine

1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine (PubChem CID 104886365) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine
PubChem CID104886365
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine
SMILESCCN/C(=N\CCOC1CCCCC1)NN
InChIInChI=1S/C11H24N4O/c1-2-13-11(15-12)14-8-9-16-10-6-4-3-5-7-10/h10H,2-9,12H2,1H3,(H2,13,14,15)
InChIKeyZSANQTLYCSXAAH-UHFFFAOYSA-N
XLogP0.76
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine
CID 104886332
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979003
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(2-ethylsulfonylethyl)guanidine;hydroiodide
CID 111576436
2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine
CID 136923844
ethyl 4-[[N'-(2-cycloheptyloxyethyl)-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111830671
2-(2-cycloheptyloxyethyl)-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine
CID 111827751
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111830404
1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine
CID 111575241
1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 110990933
2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111397135
1-(2-cycloheptyloxyethyl)-3-ethyl-2-(3-methylsulfonylpropyl)guanidine
CID 111575637
2-(3-butoxypropyl)-1-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 111238739

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine?
The IUPAC name of 1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine (CID 104886365) is 1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine.
What is the SMILES notation for 1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine?
The canonical SMILES for 1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine is CCN/C(=N\CCOC1CCCCC1)NN.
What is the InChIKey of 1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine?
The InChIKey is ZSANQTLYCSXAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-2-13-11(15-12)14-8-9-16-10-6-4-3-5-7-10/h10H,2-9,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine?
1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine has a molecular weight of 228.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine is sourced from PubChem (CID 104886365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).