(7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline

C23H40N2 — CID 11727655

IUPAC(7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline
SMILESC[C@@H]1CC(C[C@H]2CCC[C@@H]3C[C@@H](C)C[C@@H](C)N23)=C2CCCN(C)[C@@H]2C1
InChIInChI=1S/C23H40N2/c1-16-11-18(3)25-20(13-16)7-5-8-21(25)15-19-12-17(2)14-23-22(19)9-6-10-24(23)4/h16-18,20-21,23H,5-15H2,1-4H3/t16-,17+,18+,20+,21+,23+/m0/s1
InChIKeyALCQTKOVSOCZKP-FVBKBYRDSA-N
MW344.59 g/mol
LogP5.24
Rot. Bonds2

About (7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline

(7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline (PubChem CID 11727655) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is (7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline.

Molecular Properties

Compound Name(7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline
PubChem CID11727655
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name(7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline
SMILESC[C@@H]1CC(C[C@H]2CCC[C@@H]3C[C@@H](C)C[C@@H](C)N23)=C2CCCN(C)[C@@H]2C1
InChIInChI=1S/C23H40N2/c1-16-11-18(3)25-20(13-16)7-5-8-21(25)15-19-12-17(2)14-23-22(19)9-6-10-24(23)4/h16-18,20-21,23H,5-15H2,1-4H3/t16-,17+,18+,20+,21+,23+/m0/s1
InChIKeyALCQTKOVSOCZKP-FVBKBYRDSA-N
XLogP5.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline?
The IUPAC name of (7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline (CID 11727655) is (7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline.
What is the SMILES notation for (7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline?
The canonical SMILES for (7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline is C[C@@H]1CC(C[C@H]2CCC[C@@H]3C[C@@H](C)C[C@@H](C)N23)=C2CCCN(C)[C@@H]2C1.
What is the InChIKey of (7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline?
The InChIKey is ALCQTKOVSOCZKP-FVBKBYRDSA-N. The full InChI is InChI=1S/C23H40N2/c1-16-11-18(3)25-20(13-16)7-5-8-21(25)15-19-12-17(2)14-23-22(19)9-6-10-24(23)4/h16-18,20-21,23H,5-15H2,1-4H3/t16-,17+,18+,20+,21+,23+/m0/s1.
What are the key properties of (7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline?
(7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline has a molecular weight of 344.59 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline is sourced from PubChem (CID 11727655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).