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

C10H19NO — CID 130882666

IUPAC(2S,4S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
SMILESC[C@H]1C[C@H](O)C2CCCCC2N1
InChIInChI=1S/C10H19NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-12H,2-6H2,1H3/t7-,8?,9?,10-/m0/s1
InChIKeyJPJPPIBIZQCWDH-NFTFJBJSSA-N
MW169.27 g/mol
LogP1.29
Rot. Bonds

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

(2S,4S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol (PubChem CID 130882666) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S,4S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol.

Molecular Properties

Compound Name(2S,4S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
PubChem CID130882666
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S,4S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
SMILESC[C@H]1C[C@H](O)C2CCCCC2N1
InChIInChI=1S/C10H19NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-12H,2-6H2,1H3/t7-,8?,9?,10-/m0/s1
InChIKeyJPJPPIBIZQCWDH-NFTFJBJSSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
The IUPAC name of (2S,4S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol (CID 130882666) is (2S,4S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol.
What is the SMILES notation for (2S,4S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
The canonical SMILES for (2S,4S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol is C[C@H]1C[C@H](O)C2CCCCC2N1.
What is the InChIKey of (2S,4S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
The InChIKey is JPJPPIBIZQCWDH-NFTFJBJSSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-12H,2-6H2,1H3/t7-,8?,9?,10-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
(2S,4S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol is sourced from PubChem (CID 130882666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).