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

C22H38N2 — CID 10019564

IUPAC(7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline
SMILESC[C@H]1CC(C[C@@H]2CCC[C@H]3C[C@H](C)C[C@H](C)N23)=C2CCCN[C@H]2C1
InChIInChI=1S/C22H38N2/c1-15-10-17(3)24-19(12-15)6-4-7-20(24)14-18-11-16(2)13-22-21(18)8-5-9-23-22/h15-17,19-20,22-23H,4-14H2,1-3H3/t15-,16+,17+,19+,20+,22+/m1/s1
InChIKeyMSWQKAVBJREPEZ-GDFHFJBCSA-N
MW330.56 g/mol
LogP4.90
Rot. Bonds2

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

(7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline (PubChem CID 10019564) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is (7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline.

Molecular Properties

Compound Name(7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline
PubChem CID10019564
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC Name(7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline
SMILESC[C@H]1CC(C[C@@H]2CCC[C@H]3C[C@H](C)C[C@H](C)N23)=C2CCCN[C@H]2C1
InChIInChI=1S/C22H38N2/c1-15-10-17(3)24-19(12-15)6-4-7-20(24)14-18-11-16(2)13-22-21(18)8-5-9-23-22/h15-17,19-20,22-23H,4-14H2,1-3H3/t15-,16+,17+,19+,20+,22+/m1/s1
InChIKeyMSWQKAVBJREPEZ-GDFHFJBCSA-N
XLogP4.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

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(1R,2S,9R,10R)-3-(2-methylpropyl)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
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(1R,2S,9R,10R)-3-hexyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
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(7S,8aS)-5-[[(4S,6S,8R,9aS)-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 9974815
(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
(7S,8aS)-5-[[(4S,6R,8S,9aS)-8-methyl-6-[[(2S)-piperidin-2-yl]methyl]-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 44206465
5-[(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 73075474
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CID 76419204

Frequently Asked Questions

What is the IUPAC name of (7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline?
The IUPAC name of (7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline (CID 10019564) is (7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline.
What is the SMILES notation for (7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline?
The canonical SMILES for (7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline is C[C@H]1CC(C[C@@H]2CCC[C@H]3C[C@H](C)C[C@H](C)N23)=C2CCCN[C@H]2C1.
What is the InChIKey of (7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline?
The InChIKey is MSWQKAVBJREPEZ-GDFHFJBCSA-N. The full InChI is InChI=1S/C22H38N2/c1-15-10-17(3)24-19(12-15)6-4-7-20(24)14-18-11-16(2)13-22-21(18)8-5-9-23-22/h15-17,19-20,22-23H,4-14H2,1-3H3/t15-,16+,17+,19+,20+,22+/m1/s1.
What are the key properties of (7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline?
(7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline has a molecular weight of 330.56 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline is sourced from PubChem (CID 10019564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).