8-tert-butyl-3-methyl-3,4-dihydroquinoline

C14H19N — CID 129231325

IUPAC8-tert-butyl-3-methyl-3,4-dihydroquinoline
SMILESCC1C=Nc2c(cccc2C(C)(C)C)C1
InChIInChI=1S/C14H19N/c1-10-8-11-6-5-7-12(14(2,3)4)13(11)15-9-10/h5-7,9-10H,8H2,1-4H3
InChIKeyCCFSAEVAHDBCMY-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.88
Rot. Bonds

About 8-tert-butyl-3-methyl-3,4-dihydroquinoline

8-tert-butyl-3-methyl-3,4-dihydroquinoline (PubChem CID 129231325) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 8-tert-butyl-3-methyl-3,4-dihydroquinoline.

Molecular Properties

Compound Name8-tert-butyl-3-methyl-3,4-dihydroquinoline
PubChem CID129231325
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name8-tert-butyl-3-methyl-3,4-dihydroquinoline
SMILESCC1C=Nc2c(cccc2C(C)(C)C)C1
InChIInChI=1S/C14H19N/c1-10-8-11-6-5-7-12(14(2,3)4)13(11)15-9-10/h5-7,9-10H,8H2,1-4H3
InChIKeyCCFSAEVAHDBCMY-UHFFFAOYSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-methyl-3,4-dihydroquinoline?
The IUPAC name of 8-tert-butyl-3-methyl-3,4-dihydroquinoline (CID 129231325) is 8-tert-butyl-3-methyl-3,4-dihydroquinoline.
What is the SMILES notation for 8-tert-butyl-3-methyl-3,4-dihydroquinoline?
The canonical SMILES for 8-tert-butyl-3-methyl-3,4-dihydroquinoline is CC1C=Nc2c(cccc2C(C)(C)C)C1.
What is the InChIKey of 8-tert-butyl-3-methyl-3,4-dihydroquinoline?
The InChIKey is CCFSAEVAHDBCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10-8-11-6-5-7-12(14(2,3)4)13(11)15-9-10/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 8-tert-butyl-3-methyl-3,4-dihydroquinoline?
8-tert-butyl-3-methyl-3,4-dihydroquinoline has a molecular weight of 201.31 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-methyl-3,4-dihydroquinoline is sourced from PubChem (CID 129231325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).