cyclobutyl-(1,2-dimethylindol-3-yl)methanamine

C15H20N2 — CID 82288284

IUPACcyclobutyl-(1,2-dimethylindol-3-yl)methanamine
SMILESCc1c(C(N)C2CCC2)c2ccccc2n1C
InChIInChI=1S/C15H20N2/c1-10-14(15(16)11-6-5-7-11)12-8-3-4-9-13(12)17(10)2/h3-4,8-9,11,15H,5-7,16H2,1-2H3
InChIKeyBQZFLSKKPBAFFC-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.29
Rot. Bonds2

About cyclobutyl-(1,2-dimethylindol-3-yl)methanamine

cyclobutyl-(1,2-dimethylindol-3-yl)methanamine (PubChem CID 82288284) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is cyclobutyl-(1,2-dimethylindol-3-yl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(1,2-dimethylindol-3-yl)methanamine
PubChem CID82288284
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Namecyclobutyl-(1,2-dimethylindol-3-yl)methanamine
SMILESCc1c(C(N)C2CCC2)c2ccccc2n1C
InChIInChI=1S/C15H20N2/c1-10-14(15(16)11-6-5-7-11)12-8-3-4-9-13(12)17(10)2/h3-4,8-9,11,15H,5-7,16H2,1-2H3
InChIKeyBQZFLSKKPBAFFC-UHFFFAOYSA-N
XLogP3.29
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze cyclobutyl-(1,2-dimethylindol-3-yl)methanamine 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 cyclobutyl-(1,2-dimethylindol-3-yl)methanamine?
The IUPAC name of cyclobutyl-(1,2-dimethylindol-3-yl)methanamine (CID 82288284) is cyclobutyl-(1,2-dimethylindol-3-yl)methanamine.
What is the SMILES notation for cyclobutyl-(1,2-dimethylindol-3-yl)methanamine?
The canonical SMILES for cyclobutyl-(1,2-dimethylindol-3-yl)methanamine is Cc1c(C(N)C2CCC2)c2ccccc2n1C.
What is the InChIKey of cyclobutyl-(1,2-dimethylindol-3-yl)methanamine?
The InChIKey is BQZFLSKKPBAFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10-14(15(16)11-6-5-7-11)12-8-3-4-9-13(12)17(10)2/h3-4,8-9,11,15H,5-7,16H2,1-2H3.
What are the key properties of cyclobutyl-(1,2-dimethylindol-3-yl)methanamine?
cyclobutyl-(1,2-dimethylindol-3-yl)methanamine has a molecular weight of 228.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(1,2-dimethylindol-3-yl)methanamine is sourced from PubChem (CID 82288284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).