5-(cyclobutylidenemethyl)-2-methylaniline

C12H15N — CID 142201854

IUPAC5-(cyclobutylidenemethyl)-2-methylaniline
SMILESCc1ccc(C=C2CCC2)cc1N
InChIInChI=1S/C12H15N/c1-9-5-6-11(8-12(9)13)7-10-3-2-4-10/h5-8H,2-4,13H2,1H3
InChIKeyZVWOLOROJBSQFJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.14
Rot. Bonds1

About 5-(cyclobutylidenemethyl)-2-methylaniline

5-(cyclobutylidenemethyl)-2-methylaniline (PubChem CID 142201854) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-(cyclobutylidenemethyl)-2-methylaniline.

Molecular Properties

Compound Name5-(cyclobutylidenemethyl)-2-methylaniline
PubChem CID142201854
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name5-(cyclobutylidenemethyl)-2-methylaniline
SMILESCc1ccc(C=C2CCC2)cc1N
InChIInChI=1S/C12H15N/c1-9-5-6-11(8-12(9)13)7-10-3-2-4-10/h5-8H,2-4,13H2,1H3
InChIKeyZVWOLOROJBSQFJ-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(cyclobutylidenemethyl)-2-methylaniline 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 5-(cyclobutylidenemethyl)-2-methylaniline?
The IUPAC name of 5-(cyclobutylidenemethyl)-2-methylaniline (CID 142201854) is 5-(cyclobutylidenemethyl)-2-methylaniline.
What is the SMILES notation for 5-(cyclobutylidenemethyl)-2-methylaniline?
The canonical SMILES for 5-(cyclobutylidenemethyl)-2-methylaniline is Cc1ccc(C=C2CCC2)cc1N.
What is the InChIKey of 5-(cyclobutylidenemethyl)-2-methylaniline?
The InChIKey is ZVWOLOROJBSQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9-5-6-11(8-12(9)13)7-10-3-2-4-10/h5-8H,2-4,13H2,1H3.
What are the key properties of 5-(cyclobutylidenemethyl)-2-methylaniline?
5-(cyclobutylidenemethyl)-2-methylaniline has a molecular weight of 173.26 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylidenemethyl)-2-methylaniline is sourced from PubChem (CID 142201854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).