1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine

C9H19N3O — CID 62363573

IUPAC1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
SMILESCOCC(C)C/N=C(\N)NC1CC1
InChIInChI=1S/C9H19N3O/c1-7(6-13-2)5-11-9(10)12-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,10,11,12)
InChIKeyBLJGODYYNRGBIP-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.34
Rot. Bonds5

About 1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine

1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine (PubChem CID 62363573) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
PubChem CID62363573
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
SMILESCOCC(C)C/N=C(\N)NC1CC1
InChIInChI=1S/C9H19N3O/c1-7(6-13-2)5-11-9(10)12-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,10,11,12)
InChIKeyBLJGODYYNRGBIP-UHFFFAOYSA-N
XLogP0.34
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
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-cyclopropyl-2-(3-methoxy-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-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine (CID 62363573) is 1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine is COCC(C)C/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine?
The InChIKey is BLJGODYYNRGBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(6-13-2)5-11-9(10)12-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine?
1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine has a molecular weight of 185.27 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine is sourced from PubChem (CID 62363573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).