8-tert-butyl-1,2,3,4-tetrahydroquinoline

C13H19N — CID 3018593

IUPAC8-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1cccc2c1NCCC2
InChIInChI=1S/C13H19N/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11/h4,6,8,14H,5,7,9H2,1-3H3
InChIKeyFTAFKJQTGWHYTC-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.34
Rot. Bonds

About 8-tert-butyl-1,2,3,4-tetrahydroquinoline

8-tert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 3018593) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 8-tert-butyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-tert-butyl-1,2,3,4-tetrahydroquinoline
PubChem CID3018593
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name8-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1cccc2c1NCCC2
InChIInChI=1S/C13H19N/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11/h4,6,8,14H,5,7,9H2,1-3H3
InChIKeyFTAFKJQTGWHYTC-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-tert-butyl-1,2,3,4-tetrahydroquinoline (CID 3018593) is 8-tert-butyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-tert-butyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-tert-butyl-1,2,3,4-tetrahydroquinoline is CC(C)(C)c1cccc2c1NCCC2.
What is the InChIKey of 8-tert-butyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is FTAFKJQTGWHYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11/h4,6,8,14H,5,7,9H2,1-3H3.
What are the key properties of 8-tert-butyl-1,2,3,4-tetrahydroquinoline?
8-tert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 189.30 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 3018593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).