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

C14H27NO — CID 597872

IUPAC4-butyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
SMILESCCCCC1(O)CC(C)NC2CCCCC21
InChIInChI=1S/C14H27NO/c1-3-4-9-14(16)10-11(2)15-13-8-6-5-7-12(13)14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyULDFLNDBZBZMKA-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.85
Rot. Bonds3

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

4-butyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol (PubChem CID 597872) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-butyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol.

Molecular Properties

Compound Name4-butyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
PubChem CID597872
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-butyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
SMILESCCCCC1(O)CC(C)NC2CCCCC21
InChIInChI=1S/C14H27NO/c1-3-4-9-14(16)10-11(2)15-13-8-6-5-7-12(13)14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyULDFLNDBZBZMKA-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol?
The IUPAC name of 4-butyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol (CID 597872) is 4-butyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol.
What is the SMILES notation for 4-butyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol?
The canonical SMILES for 4-butyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol is CCCCC1(O)CC(C)NC2CCCCC21.
What is the InChIKey of 4-butyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol?
The InChIKey is ULDFLNDBZBZMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-9-14(16)10-11(2)15-13-8-6-5-7-12(13)14/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 4-butyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol?
4-butyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol has a molecular weight of 225.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol is sourced from PubChem (CID 597872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).