7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine

C20H31NO — CID 42646022

IUPAC7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine
SMILESCC(C)COC1CCN2CC(C)(c3ccccc3)CCC2C1
InChIInChI=1S/C20H31NO/c1-16(2)14-22-19-10-12-21-15-20(3,11-9-18(21)13-19)17-7-5-4-6-8-17/h4-8,16,18-19H,9-15H2,1-3H3
InChIKeyZRIJWEPCDPSWTN-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.24
Rot. Bonds4

About 7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine

7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine (PubChem CID 42646022) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine.

Molecular Properties

Compound Name7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine
PubChem CID42646022
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine
SMILESCC(C)COC1CCN2CC(C)(c3ccccc3)CCC2C1
InChIInChI=1S/C20H31NO/c1-16(2)14-22-19-10-12-21-15-20(3,11-9-18(21)13-19)17-7-5-4-6-8-17/h4-8,16,18-19H,9-15H2,1-3H3
InChIKeyZRIJWEPCDPSWTN-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine?
The IUPAC name of 7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine (CID 42646022) is 7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine.
What is the SMILES notation for 7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine?
The canonical SMILES for 7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine is CC(C)COC1CCN2CC(C)(c3ccccc3)CCC2C1.
What is the InChIKey of 7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine?
The InChIKey is ZRIJWEPCDPSWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-16(2)14-22-19-10-12-21-15-20(3,11-9-18(21)13-19)17-7-5-4-6-8-17/h4-8,16,18-19H,9-15H2,1-3H3.
What are the key properties of 7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine?
7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine has a molecular weight of 301.47 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(2-methylpropoxy)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine is sourced from PubChem (CID 42646022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).