3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane

C27H51N3 — CID 159733822

IUPAC3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane
SMILESCC1CC2CCC(C1)N2C.CC1CCCN2CCCCC12.CC1CN2CCC1CC2
InChIInChI=1S/C10H19N.C9H17N.C8H15N/c1-9-5-4-8-11-7-3-2-6-10(9)11;1-7-5-8-3-4-9(6-7)10(8)2;1-7-6-9-4-2-8(7)3-5-9/h9-10H,2-8H2,1H3;7-9H,3-6H2,1-2H3;7-8H,2-6H2,1H3
InChIKeyNBOQIMTYGIELFY-UHFFFAOYSA-N
MW417.73 g/mol
LogP5.50
Rot. Bonds

About 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane

3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane (PubChem CID 159733822) has the molecular formula C27H51N3 and a molecular weight of 417.73 g/mol. Its IUPAC name is 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane
PubChem CID159733822
Molecular FormulaC27H51N3
Molecular Weight417.73 g/mol
Exact Mass417.41
IUPAC Name3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane
SMILESCC1CC2CCC(C1)N2C.CC1CCCN2CCCCC12.CC1CN2CCC1CC2
InChIInChI=1S/C10H19N.C9H17N.C8H15N/c1-9-5-4-8-11-7-3-2-6-10(9)11;1-7-5-8-3-4-9(6-7)10(8)2;1-7-6-9-4-2-8(7)3-5-9/h9-10H,2-8H2,1H3;7-9H,3-6H2,1-2H3;7-8H,2-6H2,1H3
InChIKeyNBOQIMTYGIELFY-UHFFFAOYSA-N
XLogP5.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.73
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane (CID 159733822) is 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane is CC1CC2CCC(C1)N2C.CC1CCCN2CCCCC12.CC1CN2CCC1CC2.
What is the InChIKey of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane?
The InChIKey is NBOQIMTYGIELFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C9H17N.C8H15N/c1-9-5-4-8-11-7-3-2-6-10(9)11;1-7-5-8-3-4-9(6-7)10(8)2;1-7-6-9-4-2-8(7)3-5-9/h9-10H,2-8H2,1H3;7-9H,3-6H2,1-2H3;7-8H,2-6H2,1H3.
What are the key properties of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane?
3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane has a molecular weight of 417.73 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-8-azabicyclo[3.2.1]octane;1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-methyl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 159733822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).