3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline

C17H27N — CID 63386279

IUPAC3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccc2c(c1)CC(C(C)(C)C)CN2
InChIInChI=1S/C17H27N/c1-16(2,3)13-7-8-15-12(9-13)10-14(11-18-15)17(4,5)6/h7-9,14,18H,10-11H2,1-6H3
InChIKeyDWLPBWIMKHZXLO-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.61
Rot. Bonds

About 3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline

3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 63386279) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
PubChem CID63386279
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccc2c(c1)CC(C(C)(C)C)CN2
InChIInChI=1S/C17H27N/c1-16(2,3)13-7-8-15-12(9-13)10-14(11-18-15)17(4,5)6/h7-9,14,18H,10-11H2,1-6H3
InChIKeyDWLPBWIMKHZXLO-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,6-ditert-butyl-1,2,3,4-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 3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline (CID 63386279) is 3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline is CC(C)(C)c1ccc2c(c1)CC(C(C)(C)C)CN2.
What is the InChIKey of 3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is DWLPBWIMKHZXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-16(2,3)13-7-8-15-12(9-13)10-14(11-18-15)17(4,5)6/h7-9,14,18H,10-11H2,1-6H3.
What are the key properties of 3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline?
3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 245.41 g/mol, XLogP of 4.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63386279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).