2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine

C15H20ClN3 — CID 110031832

IUPAC2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CC1(c2ccccc2Cl)CC1)C1CC1
InChIInChI=1S/C15H20ClN3/c1-19(11-6-7-11)14(17)18-10-15(8-9-15)12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H2,17,18)
InChIKeyGINKXGALHPZVCX-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.78
Rot. Bonds4

About 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine

2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine (PubChem CID 110031832) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine
PubChem CID110031832
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CC1(c2ccccc2Cl)CC1)C1CC1
InChIInChI=1S/C15H20ClN3/c1-19(11-6-7-11)14(17)18-10-15(8-9-15)12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H2,17,18)
InChIKeyGINKXGALHPZVCX-UHFFFAOYSA-N
XLogP2.78
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine 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-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine?
The IUPAC name of 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine (CID 110031832) is 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine?
The canonical SMILES for 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine is CN(/C(N)=N/CC1(c2ccccc2Cl)CC1)C1CC1.
What is the InChIKey of 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine?
The InChIKey is GINKXGALHPZVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-19(11-6-7-11)14(17)18-10-15(8-9-15)12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H2,17,18).
What are the key properties of 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine?
2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine has a molecular weight of 277.80 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine is sourced from PubChem (CID 110031832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).