2-tert-butyl-1-methyl-3,8a-dihydroindolizine

C13H19N — CID 59640670

IUPAC2-tert-butyl-1-methyl-3,8a-dihydroindolizine
SMILESCC1=C(C(C)(C)C)CN2C=CC=CC12
InChIInChI=1S/C13H19N/c1-10-11(13(2,3)4)9-14-8-6-5-7-12(10)14/h5-8,12H,9H2,1-4H3
InChIKeyCLTVSIVWTCQJCY-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.12
Rot. Bonds

About 2-tert-butyl-1-methyl-3,8a-dihydroindolizine

2-tert-butyl-1-methyl-3,8a-dihydroindolizine (PubChem CID 59640670) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-3,8a-dihydroindolizine.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-3,8a-dihydroindolizine
PubChem CID59640670
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-tert-butyl-1-methyl-3,8a-dihydroindolizine
SMILESCC1=C(C(C)(C)C)CN2C=CC=CC12
InChIInChI=1S/C13H19N/c1-10-11(13(2,3)4)9-14-8-6-5-7-12(10)14/h5-8,12H,9H2,1-4H3
InChIKeyCLTVSIVWTCQJCY-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-1-methyl-3,8a-dihydroindolizine 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-tert-butyl-1-methyl-3,8a-dihydroindolizine?
The IUPAC name of 2-tert-butyl-1-methyl-3,8a-dihydroindolizine (CID 59640670) is 2-tert-butyl-1-methyl-3,8a-dihydroindolizine.
What is the SMILES notation for 2-tert-butyl-1-methyl-3,8a-dihydroindolizine?
The canonical SMILES for 2-tert-butyl-1-methyl-3,8a-dihydroindolizine is CC1=C(C(C)(C)C)CN2C=CC=CC12.
What is the InChIKey of 2-tert-butyl-1-methyl-3,8a-dihydroindolizine?
The InChIKey is CLTVSIVWTCQJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-11(13(2,3)4)9-14-8-6-5-7-12(10)14/h5-8,12H,9H2,1-4H3.
What are the key properties of 2-tert-butyl-1-methyl-3,8a-dihydroindolizine?
2-tert-butyl-1-methyl-3,8a-dihydroindolizine has a molecular weight of 189.30 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-3,8a-dihydroindolizine is sourced from PubChem (CID 59640670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).