(7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline

C13H19N — CID 69281697

IUPAC(7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)(C)[C@H]1CCc2cccnc2C1
InChIInChI=1S/C13H19N/c1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11/h4-5,8,11H,6-7,9H2,1-3H3/t11-/m0/s1
InChIKeyYWVVGQBJOZRWFD-NSHDSACASA-N
MW189.30 g/mol
LogP3.23
Rot. Bonds

About (7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline

(7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline (PubChem CID 69281697) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name(7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline
PubChem CID69281697
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)(C)[C@H]1CCc2cccnc2C1
InChIInChI=1S/C13H19N/c1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11/h4-5,8,11H,6-7,9H2,1-3H3/t11-/m0/s1
InChIKeyYWVVGQBJOZRWFD-NSHDSACASA-N
XLogP3.23
TPSA12.89 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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline 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 (7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of (7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline (CID 69281697) is (7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for (7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for (7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline is CC(C)(C)[C@H]1CCc2cccnc2C1.
What is the InChIKey of (7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is YWVVGQBJOZRWFD-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N/c1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11/h4-5,8,11H,6-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline?
(7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 189.30 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 69281697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).