5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol

C13H25NO — CID 14863811

IUPAC5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol
SMILESCCCC1CCC2C(CCC(O)C2C)N1
InChIInChI=1S/C13H25NO/c1-3-4-10-5-6-11-9(2)13(15)8-7-12(11)14-10/h9-15H,3-8H2,1-2H3
InChIKeyOVVQIFHMGTTXGD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.31
Rot. Bonds2

About 5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol

5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol (PubChem CID 14863811) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol.

Molecular Properties

Compound Name5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol
PubChem CID14863811
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol
SMILESCCCC1CCC2C(CCC(O)C2C)N1
InChIInChI=1S/C13H25NO/c1-3-4-10-5-6-11-9(2)13(15)8-7-12(11)14-10/h9-15H,3-8H2,1-2H3
InChIKeyOVVQIFHMGTTXGD-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol?
The IUPAC name of 5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol (CID 14863811) is 5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol.
What is the SMILES notation for 5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol?
The canonical SMILES for 5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol is CCCC1CCC2C(CCC(O)C2C)N1.
What is the InChIKey of 5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol?
The InChIKey is OVVQIFHMGTTXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-10-5-6-11-9(2)13(15)8-7-12(11)14-10/h9-15H,3-8H2,1-2H3.
What are the key properties of 5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol?
5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol has a molecular weight of 211.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol is sourced from PubChem (CID 14863811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).