[(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol

C10H19NO — CID 124667692

IUPAC[(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol
SMILESOC[C@]12CCCC[C@H]1NCCC2
InChIInChI=1S/C10H19NO/c12-8-10-5-2-1-4-9(10)11-7-3-6-10/h9,11-12H,1-8H2/t9-,10-/m1/s1
InChIKeyBKGCNMBKYIKJML-NXEZZACHSA-N
MW169.27 g/mol
LogP1.29
Rot. Bonds1

About [(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol

[(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol (PubChem CID 124667692) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol.

Molecular Properties

Compound Name[(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol
PubChem CID124667692
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol
SMILESOC[C@]12CCCC[C@H]1NCCC2
InChIInChI=1S/C10H19NO/c12-8-10-5-2-1-4-9(10)11-7-3-6-10/h9,11-12H,1-8H2/t9-,10-/m1/s1
InChIKeyBKGCNMBKYIKJML-NXEZZACHSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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 [(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol?
The IUPAC name of [(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol (CID 124667692) is [(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol.
What is the SMILES notation for [(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol?
The canonical SMILES for [(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol is OC[C@]12CCCC[C@H]1NCCC2.
What is the InChIKey of [(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol?
The InChIKey is BKGCNMBKYIKJML-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19NO/c12-8-10-5-2-1-4-9(10)11-7-3-6-10/h9,11-12H,1-8H2/t9-,10-/m1/s1.
What are the key properties of [(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol?
[(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol has a molecular weight of 169.27 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol is sourced from PubChem (CID 124667692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).