1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline

C15H23N — CID 58893584

IUPAC1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline
SMILESCC(C)c1ccc2c(c1)C(C)(C)CCN2C
InChIInChI=1S/C15H23N/c1-11(2)12-6-7-14-13(10-12)15(3,4)8-9-16(14)5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyTXSIDGZOWUXOFQ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.93
Rot. Bonds1

About 1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline

1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline (PubChem CID 58893584) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline.

Molecular Properties

Compound Name1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline
PubChem CID58893584
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline
SMILESCC(C)c1ccc2c(c1)C(C)(C)CCN2C
InChIInChI=1S/C15H23N/c1-11(2)12-6-7-14-13(10-12)15(3,4)8-9-16(14)5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyTXSIDGZOWUXOFQ-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4,4-trimethyl-6-propan-2-yl-2,3-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 1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline?
The IUPAC name of 1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline (CID 58893584) is 1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline.
What is the SMILES notation for 1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline?
The canonical SMILES for 1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline is CC(C)c1ccc2c(c1)C(C)(C)CCN2C.
What is the InChIKey of 1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline?
The InChIKey is TXSIDGZOWUXOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)12-6-7-14-13(10-12)15(3,4)8-9-16(14)5/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline?
1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline has a molecular weight of 217.36 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline is sourced from PubChem (CID 58893584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).