1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine

C12H21N3 — CID 99850633

IUPAC1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine
SMILESC/N=C(\NCC1CCC1)NC1CC=CC1
InChIInChI=1S/C12H21N3/c1-13-12(14-9-10-5-4-6-10)15-11-7-2-3-8-11/h2-3,10-11H,4-9H2,1H3,(H2,13,14,15)
InChIKeyWKKLJSRGPOTXDI-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.67
Rot. Bonds3

About 1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine

1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine (PubChem CID 99850633) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine
PubChem CID99850633
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine
SMILESC/N=C(\NCC1CCC1)NC1CC=CC1
InChIInChI=1S/C12H21N3/c1-13-12(14-9-10-5-4-6-10)15-11-7-2-3-8-11/h2-3,10-11H,4-9H2,1H3,(H2,13,14,15)
InChIKeyWKKLJSRGPOTXDI-UHFFFAOYSA-N
XLogP1.67
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine with MolForge

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

Launch Full Analysis

Related Compounds

1-Cyclopent-3-en-1-yl-3-ethyl-2-(5,5,5-trifluoropentyl)guanidine
CID 109769705
1-Cyclopent-3-en-1-yl-3-ethyl-2-(3-fluoropropyl)guanidine
CID 109771081
1-Cyclopent-3-en-1-yl-2-methyl-3-(5,5,5-trifluoropentyl)guanidine
CID 109772391
1-Cyclohex-3-en-1-yl-2-(2-methylpropyl)guanidine
CID 65679564
2-Butyl-1-cyclopent-3-en-1-yl-3-ethylguanidine
CID 99714111
1-Cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine
CID 99850634
1-Cyclopent-3-en-1-yl-2-methyl-3-pentylguanidine;hydroiodide
CID 109768474
1-Cyclopent-3-en-1-yl-2-methyl-3-pentylguanidine
CID 109768475
1-Cyclopent-3-en-1-yl-3-(5,5-dimethylhexyl)-2-methylguanidine;hydroiodide
CID 109768638
1-Cyclopent-3-en-1-yl-3-(5,5-dimethylhexyl)-2-methylguanidine
CID 109768639
1-Cyclopent-3-en-1-yl-3-(4,4-dimethylpentyl)-2-methylguanidine;hydroiodide
CID 109768894
1-Cyclopent-3-en-1-yl-3-(4,4-dimethylpentyl)-2-methylguanidine
CID 109768895

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine?
The IUPAC name of 1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine (CID 99850633) is 1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine is C/N=C(\NCC1CCC1)NC1CC=CC1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine?
The InChIKey is WKKLJSRGPOTXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-13-12(14-9-10-5-4-6-10)15-11-7-2-3-8-11/h2-3,10-11H,4-9H2,1H3,(H2,13,14,15).
What are the key properties of 1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine?
1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine has a molecular weight of 207.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine is sourced from PubChem (CID 99850633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).