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

C11H21NO — CID 13244764

IUPAC1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-ol
SMILESCC1CCC2C(O)CCCC2N1C
InChIInChI=1S/C11H21NO/c1-8-6-7-9-10(12(8)2)4-3-5-11(9)13/h8-11,13H,3-7H2,1-2H3
InChIKeyYSJOLIOSYDUJRP-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.63
Rot. Bonds

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

1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-ol (PubChem CID 13244764) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-ol.

Molecular Properties

Compound Name1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-ol
PubChem CID13244764
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-ol
SMILESCC1CCC2C(O)CCCC2N1C
InChIInChI=1S/C11H21NO/c1-8-6-7-9-10(12(8)2)4-3-5-11(9)13/h8-11,13H,3-7H2,1-2H3
InChIKeyYSJOLIOSYDUJRP-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-ol?
The IUPAC name of 1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-ol (CID 13244764) is 1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-ol.
What is the SMILES notation for 1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-ol?
The canonical SMILES for 1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-ol is CC1CCC2C(O)CCCC2N1C.
What is the InChIKey of 1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-ol?
The InChIKey is YSJOLIOSYDUJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-6-7-9-10(12(8)2)4-3-5-11(9)13/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-ol?
1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-ol has a molecular weight of 183.29 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-ol is sourced from PubChem (CID 13244764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).