1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol

C12H23NO — CID 66744341

IUPAC1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol
SMILESCC(C)N1CCCC2CCCC(O)C21
InChIInChI=1S/C12H23NO/c1-9(2)13-8-4-6-10-5-3-7-11(14)12(10)13/h9-12,14H,3-8H2,1-2H3
InChIKeyDPOXFIOJOKMZDJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds1

About 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol

1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol (PubChem CID 66744341) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol.

Molecular Properties

Compound Name1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol
PubChem CID66744341
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol
SMILESCC(C)N1CCCC2CCCC(O)C21
InChIInChI=1S/C12H23NO/c1-9(2)13-8-4-6-10-5-3-7-11(14)12(10)13/h9-12,14H,3-8H2,1-2H3
InChIKeyDPOXFIOJOKMZDJ-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol?
The IUPAC name of 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol (CID 66744341) is 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol.
What is the SMILES notation for 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol?
The canonical SMILES for 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol is CC(C)N1CCCC2CCCC(O)C21.
What is the InChIKey of 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol?
The InChIKey is DPOXFIOJOKMZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)13-8-4-6-10-5-3-7-11(14)12(10)13/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol?
1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol is sourced from PubChem (CID 66744341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).