2-propan-2-yl-1,2-dihydroquinoline

C12H15N — CID 126659011

IUPAC2-propan-2-yl-1,2-dihydroquinoline
SMILESCC(C)C1C=Cc2ccccc2N1
InChIInChI=1S/C12H15N/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h3-9,11,13H,1-2H3
InChIKeyLSRABMYSNPZAOZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.15
Rot. Bonds1

About 2-propan-2-yl-1,2-dihydroquinoline

2-propan-2-yl-1,2-dihydroquinoline (PubChem CID 126659011) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-propan-2-yl-1,2-dihydroquinoline.

Molecular Properties

Compound Name2-propan-2-yl-1,2-dihydroquinoline
PubChem CID126659011
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-propan-2-yl-1,2-dihydroquinoline
SMILESCC(C)C1C=Cc2ccccc2N1
InChIInChI=1S/C12H15N/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h3-9,11,13H,1-2H3
InChIKeyLSRABMYSNPZAOZ-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dihydroquinolin-2-ylmethyl(trimethyl)silane
CID 11115651
2-propan-2-yl-1,2-dihydroquinoxaline
CID 86095880
2-(1,2-dihydroquinolin-2-yl)ethanol
CID 68887406
methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride
CID 141352867
1-[(6S)-5,6-dihydrobenzo[c][1]benzazocin-6-yl]-N-methylmethanamine
CID 125471269
sodium;hydride;1-[1-(1H-inden-1-yl)ethyl]-1H-indene
CID 173341503
CID 54557103
CID 54557103
[(1R,2S)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]methanol
CID 10726808
N'-[1-(3,4-dichlorophenyl)ethyl]-N-(1,2-dihydroquinolin-2-yl)propane-1,3-diamine
CID 141015697
N-(piperidin-4-ylmethyl)-1,2-dihydroquinolin-2-amine
CID 174469692
CID 10809432
CID 10809432
CID 119077465
CID 119077465

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,2-dihydroquinoline?
The IUPAC name of 2-propan-2-yl-1,2-dihydroquinoline (CID 126659011) is 2-propan-2-yl-1,2-dihydroquinoline.
What is the SMILES notation for 2-propan-2-yl-1,2-dihydroquinoline?
The canonical SMILES for 2-propan-2-yl-1,2-dihydroquinoline is CC(C)C1C=Cc2ccccc2N1.
What is the InChIKey of 2-propan-2-yl-1,2-dihydroquinoline?
The InChIKey is LSRABMYSNPZAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h3-9,11,13H,1-2H3.
What are the key properties of 2-propan-2-yl-1,2-dihydroquinoline?
2-propan-2-yl-1,2-dihydroquinoline has a molecular weight of 173.26 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,2-dihydroquinoline is sourced from PubChem (CID 126659011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).