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

C11H23N3O — CID 62361464

IUPAC2-cyclopropyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine
SMILESCOCCN(CC(C)C)/C(N)=N/C1CC1
InChIInChI=1S/C11H23N3O/c1-9(2)8-14(6-7-15-3)11(12)13-10-4-5-10/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyUWXKCWFURURHBI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.07
Rot. Bonds6

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

2-cyclopropyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine (PubChem CID 62361464) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine
PubChem CID62361464
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-cyclopropyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine
SMILESCOCCN(CC(C)C)/C(N)=N/C1CC1
InChIInChI=1S/C11H23N3O/c1-9(2)8-14(6-7-15-3)11(12)13-10-4-5-10/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyUWXKCWFURURHBI-UHFFFAOYSA-N
XLogP1.07
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.07
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 2-cyclopropyl-1-(2-methoxyethyl)-1-(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 2-cyclopropyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine (CID 62361464) is 2-cyclopropyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine is COCCN(CC(C)C)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine?
The InChIKey is UWXKCWFURURHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)8-14(6-7-15-3)11(12)13-10-4-5-10/h9-10H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 2-cyclopropyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine?
2-cyclopropyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine has a molecular weight of 213.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 62361464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).