2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol

C17H25NO — CID 165347131

IUPAC2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
SMILESCc1cccc(C)c1C1(O)CCN2CCCCC2C1
InChIInChI=1S/C17H25NO/c1-13-6-5-7-14(2)16(13)17(19)9-11-18-10-4-3-8-15(18)12-17/h5-7,15,19H,3-4,8-12H2,1-2H3
InChIKeyMAZYAQHCVVAFNR-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.14
Rot. Bonds1

About 2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol

2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol (PubChem CID 165347131) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
PubChem CID165347131
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
SMILESCc1cccc(C)c1C1(O)CCN2CCCCC2C1
InChIInChI=1S/C17H25NO/c1-13-6-5-7-14(2)16(13)17(19)9-11-18-10-4-3-8-15(18)12-17/h5-7,15,19H,3-4,8-12H2,1-2H3
InChIKeyMAZYAQHCVVAFNR-UHFFFAOYSA-N
XLogP3.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol?
The IUPAC name of 2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol (CID 165347131) is 2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol is Cc1cccc(C)c1C1(O)CCN2CCCCC2C1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol?
The InChIKey is MAZYAQHCVVAFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-6-5-7-14(2)16(13)17(19)9-11-18-10-4-3-8-15(18)12-17/h5-7,15,19H,3-4,8-12H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol?
2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol has a molecular weight of 259.39 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol is sourced from PubChem (CID 165347131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).