(2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol

C11H21NO — CID 130762249

IUPAC(2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
SMILESC[C@H]1CC[C@@H]2[C@H](O)C[C@@H](C)N[C@H]2C1
InChIInChI=1S/C11H21NO/c1-7-3-4-9-10(5-7)12-8(2)6-11(9)13/h7-13H,3-6H2,1-2H3/t7-,8+,9-,10-,11+/m0/s1
InChIKeyWDDMLCBUOYCHSI-HPENLJRUSA-N
MW183.29 g/mol
LogP1.53
Rot. Bonds

About (2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol

(2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol (PubChem CID 130762249) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol.

Molecular Properties

Compound Name(2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
PubChem CID130762249
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
SMILESC[C@H]1CC[C@@H]2[C@H](O)C[C@@H](C)N[C@H]2C1
InChIInChI=1S/C11H21NO/c1-7-3-4-9-10(5-7)12-8(2)6-11(9)13/h7-13H,3-6H2,1-2H3/t7-,8+,9-,10-,11+/m0/s1
InChIKeyWDDMLCBUOYCHSI-HPENLJRUSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
The IUPAC name of (2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol (CID 130762249) is (2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol.
What is the SMILES notation for (2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
The canonical SMILES for (2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol is C[C@H]1CC[C@@H]2[C@H](O)C[C@@H](C)N[C@H]2C1.
What is the InChIKey of (2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
The InChIKey is WDDMLCBUOYCHSI-HPENLJRUSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-3-4-9-10(5-7)12-8(2)6-11(9)13/h7-13H,3-6H2,1-2H3/t7-,8+,9-,10-,11+/m0/s1.
What are the key properties of (2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
(2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol has a molecular weight of 183.29 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,4aS,7S,8aS)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol is sourced from PubChem (CID 130762249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).