6-propan-2-yl-4a,8a-dihydroquinoline

C12H15N — CID 59940834

IUPAC6-propan-2-yl-4a,8a-dihydroquinoline
SMILESCC(C)C1=CC2C=CC=NC2C=C1
InChIInChI=1S/C12H15N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h3-9,11-12H,1-2H3
InChIKeyZVCFUTCNLGJIEG-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.76
Rot. Bonds1

About 6-propan-2-yl-4a,8a-dihydroquinoline

6-propan-2-yl-4a,8a-dihydroquinoline (PubChem CID 59940834) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 6-propan-2-yl-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name6-propan-2-yl-4a,8a-dihydroquinoline
PubChem CID59940834
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name6-propan-2-yl-4a,8a-dihydroquinoline
SMILESCC(C)C1=CC2C=CC=NC2C=C1
InChIInChI=1S/C12H15N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h3-9,11-12H,1-2H3
InChIKeyZVCFUTCNLGJIEG-UHFFFAOYSA-N
XLogP2.76
TPSA12.36 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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Bis-propylideneaniline
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7-Fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline
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6-Fluoro-2-methyl-4a,8a-dihydroquinoline
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CID 134855711
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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4a,8a-dihydroquinoline?
The IUPAC name of 6-propan-2-yl-4a,8a-dihydroquinoline (CID 59940834) is 6-propan-2-yl-4a,8a-dihydroquinoline.
What is the SMILES notation for 6-propan-2-yl-4a,8a-dihydroquinoline?
The canonical SMILES for 6-propan-2-yl-4a,8a-dihydroquinoline is CC(C)C1=CC2C=CC=NC2C=C1.
What is the InChIKey of 6-propan-2-yl-4a,8a-dihydroquinoline?
The InChIKey is ZVCFUTCNLGJIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h3-9,11-12H,1-2H3.
What are the key properties of 6-propan-2-yl-4a,8a-dihydroquinoline?
6-propan-2-yl-4a,8a-dihydroquinoline has a molecular weight of 173.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4a,8a-dihydroquinoline is sourced from PubChem (CID 59940834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).