4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol

C15H29NO — CID 602872

IUPAC4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
SMILESCCCCC1(O)CC(C)N(C)C2CCCCC21
InChIInChI=1S/C15H29NO/c1-4-5-10-15(17)11-12(2)16(3)14-9-7-6-8-13(14)15/h12-14,17H,4-11H2,1-3H3
InChIKeyMZEVBOUECDZEGX-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.19
Rot. Bonds3

About 4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol

4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol (PubChem CID 602872) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol.

Molecular Properties

Compound Name4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
PubChem CID602872
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
SMILESCCCCC1(O)CC(C)N(C)C2CCCCC21
InChIInChI=1S/C15H29NO/c1-4-5-10-15(17)11-12(2)16(3)14-9-7-6-8-13(14)15/h12-14,17H,4-11H2,1-3H3
InChIKeyMZEVBOUECDZEGX-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The IUPAC name of 4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol (CID 602872) is 4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol.
What is the SMILES notation for 4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The canonical SMILES for 4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol is CCCCC1(O)CC(C)N(C)C2CCCCC21.
What is the InChIKey of 4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The InChIKey is MZEVBOUECDZEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-5-10-15(17)11-12(2)16(3)14-9-7-6-8-13(14)15/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol has a molecular weight of 239.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol is sourced from PubChem (CID 602872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).