1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine

C13H27N3O — CID 55063812

IUPAC1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
SMILESCOCCN(/C(N)=N/CC(C)C)C(C)C1CC1
InChIInChI=1S/C13H27N3O/c1-10(2)9-15-13(14)16(7-8-17-4)11(3)12-5-6-12/h10-12H,5-9H2,1-4H3,(H2,14,15)
InChIKeyLMMAXGVTCWSJCK-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.70
Rot. Bonds7

About 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine

1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine (PubChem CID 55063812) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
PubChem CID55063812
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
SMILESCOCCN(/C(N)=N/CC(C)C)C(C)C1CC1
InChIInChI=1S/C13H27N3O/c1-10(2)9-15-13(14)16(7-8-17-4)11(3)12-5-6-12/h10-12H,5-9H2,1-4H3,(H2,14,15)
InChIKeyLMMAXGVTCWSJCK-UHFFFAOYSA-N
XLogP1.70
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
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-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine (CID 55063812) is 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine is COCCN(/C(N)=N/CC(C)C)C(C)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine?
The InChIKey is LMMAXGVTCWSJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)9-15-13(14)16(7-8-17-4)11(3)12-5-6-12/h10-12H,5-9H2,1-4H3,(H2,14,15).
What are the key properties of 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine?
1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine has a molecular weight of 241.38 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 55063812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).