2-propan-2-yl-7,8-dihydroquinoline

C12H15N — CID 89161554

IUPAC2-propan-2-yl-7,8-dihydroquinoline
SMILESCC(C)c1ccc2c(n1)CCC=C2
InChIInChI=1S/C12H15N/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h3,5,7-9H,4,6H2,1-2H3
InChIKeyQEAKEQKKPLOMNH-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.16
Rot. Bonds1

About 2-propan-2-yl-7,8-dihydroquinoline

2-propan-2-yl-7,8-dihydroquinoline (PubChem CID 89161554) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-propan-2-yl-7,8-dihydroquinoline.

Molecular Properties

Compound Name2-propan-2-yl-7,8-dihydroquinoline
PubChem CID89161554
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-propan-2-yl-7,8-dihydroquinoline
SMILESCC(C)c1ccc2c(n1)CCC=C2
InChIInChI=1S/C12H15N/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h3,5,7-9H,4,6H2,1-2H3
InChIKeyQEAKEQKKPLOMNH-UHFFFAOYSA-N
XLogP3.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7,8-dihydroquinoline?
The IUPAC name of 2-propan-2-yl-7,8-dihydroquinoline (CID 89161554) is 2-propan-2-yl-7,8-dihydroquinoline.
What is the SMILES notation for 2-propan-2-yl-7,8-dihydroquinoline?
The canonical SMILES for 2-propan-2-yl-7,8-dihydroquinoline is CC(C)c1ccc2c(n1)CCC=C2.
What is the InChIKey of 2-propan-2-yl-7,8-dihydroquinoline?
The InChIKey is QEAKEQKKPLOMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h3,5,7-9H,4,6H2,1-2H3.
What are the key properties of 2-propan-2-yl-7,8-dihydroquinoline?
2-propan-2-yl-7,8-dihydroquinoline has a molecular weight of 173.26 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7,8-dihydroquinoline is sourced from PubChem (CID 89161554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).