2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine

C12H23N3O — CID 62361631

IUPAC2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine
SMILESCN(CC1CCCO1)/C(N)=N/C1CCCC1
InChIInChI=1S/C12H23N3O/c1-15(9-11-7-4-8-16-11)12(13)14-10-5-2-3-6-10/h10-11H,2-9H2,1H3,(H2,13,14)
InChIKeyWBIXBJBHLIJWHG-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.35
Rot. Bonds3

About 2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine

2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine (PubChem CID 62361631) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine
PubChem CID62361631
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine
SMILESCN(CC1CCCO1)/C(N)=N/C1CCCC1
InChIInChI=1S/C12H23N3O/c1-15(9-11-7-4-8-16-11)12(13)14-10-5-2-3-6-10/h10-11H,2-9H2,1H3,(H2,13,14)
InChIKeyWBIXBJBHLIJWHG-UHFFFAOYSA-N
XLogP1.35
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.35
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-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)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-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine (CID 62361631) is 2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine is CN(CC1CCCO1)/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine?
The InChIKey is WBIXBJBHLIJWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-15(9-11-7-4-8-16-11)12(13)14-10-5-2-3-6-10/h10-11H,2-9H2,1H3,(H2,13,14).
What are the key properties of 2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine?
2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine has a molecular weight of 225.34 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-methyl-1-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 62361631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).