8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline

C14H19N — CID 71069576

IUPAC8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline
SMILESCCC(C)(C)C1=CC=CC2C=CC=NC12
InChIInChI=1S/C14H19N/c1-4-14(2,3)12-9-5-7-11-8-6-10-15-13(11)12/h5-11,13H,4H2,1-3H3
InChIKeyMJDYDTKFVJRCBZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.54
Rot. Bonds2

About 8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline

8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline (PubChem CID 71069576) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline
PubChem CID71069576
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline
SMILESCCC(C)(C)C1=CC=CC2C=CC=NC12
InChIInChI=1S/C14H19N/c1-4-14(2,3)12-9-5-7-11-8-6-10-15-13(11)12/h5-11,13H,4H2,1-3H3
InChIKeyMJDYDTKFVJRCBZ-UHFFFAOYSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline 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 8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline?
The IUPAC name of 8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline (CID 71069576) is 8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline.
What is the SMILES notation for 8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline?
The canonical SMILES for 8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline is CCC(C)(C)C1=CC=CC2C=CC=NC12.
What is the InChIKey of 8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline?
The InChIKey is MJDYDTKFVJRCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-4-14(2,3)12-9-5-7-11-8-6-10-15-13(11)12/h5-11,13H,4H2,1-3H3.
What are the key properties of 8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline?
8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline has a molecular weight of 201.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylbutan-2-yl)-4a,8a-dihydroquinoline is sourced from PubChem (CID 71069576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).