(2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol

C14H27NO — CID 14583329

IUPAC(2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol
SMILESCC(C)[C@@H]1C[C@H](O)C[C@@H]2[C@H](C)CC[C@@H](C)N21
InChIInChI=1S/C14H27NO/c1-9(2)13-7-12(16)8-14-10(3)5-6-11(4)15(13)14/h9-14,16H,5-8H2,1-4H3/t10-,11-,12+,13+,14-/m1/s1
InChIKeyWPYIYVXSMXASQL-PEBLQZBPSA-N
MW225.38 g/mol
LogP2.65
Rot. Bonds1

About (2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol

(2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol (PubChem CID 14583329) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol.

Molecular Properties

Compound Name(2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol
PubChem CID14583329
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol
SMILESCC(C)[C@@H]1C[C@H](O)C[C@@H]2[C@H](C)CC[C@@H](C)N21
InChIInChI=1S/C14H27NO/c1-9(2)13-7-12(16)8-14-10(3)5-6-11(4)15(13)14/h9-14,16H,5-8H2,1-4H3/t10-,11-,12+,13+,14-/m1/s1
InChIKeyWPYIYVXSMXASQL-PEBLQZBPSA-N
XLogP2.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol?
The IUPAC name of (2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol (CID 14583329) is (2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol.
What is the SMILES notation for (2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol?
The canonical SMILES for (2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol is CC(C)[C@@H]1C[C@H](O)C[C@@H]2[C@H](C)CC[C@@H](C)N21.
What is the InChIKey of (2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol?
The InChIKey is WPYIYVXSMXASQL-PEBLQZBPSA-N. The full InChI is InChI=1S/C14H27NO/c1-9(2)13-7-12(16)8-14-10(3)5-6-11(4)15(13)14/h9-14,16H,5-8H2,1-4H3/t10-,11-,12+,13+,14-/m1/s1.
What are the key properties of (2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol?
(2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol has a molecular weight of 225.38 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6R,9R,9aR)-6,9-dimethyl-4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol is sourced from PubChem (CID 14583329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).