3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane

C18H36N2 — CID 161224819

IUPAC3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane
SMILESC.CC1CC2CCC(C1)N2C.CC1CC2CCN(C1)C2
InChIInChI=1S/C9H17N.C8H15N.CH4/c1-7-5-8-3-4-9(6-7)10(8)2;1-7-4-8-2-3-9(5-7)6-8;/h7-9H,3-6H2,1-2H3;7-8H,2-6H2,1H3;1H4
InChIKeyUXZBUJKGNZJAEA-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.86
Rot. Bonds

About 3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane

3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane (PubChem CID 161224819) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane
PubChem CID161224819
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane
SMILESC.CC1CC2CCC(C1)N2C.CC1CC2CCN(C1)C2
InChIInChI=1S/C9H17N.C8H15N.CH4/c1-7-5-8-3-4-9(6-7)10(8)2;1-7-4-8-2-3-9(5-7)6-8;/h7-9H,3-6H2,1-2H3;7-8H,2-6H2,1H3;1H4
InChIKeyUXZBUJKGNZJAEA-UHFFFAOYSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

7-Azatricyclo[5.3.0.04,8]decane
CID 91155902
3-[4,4-Dimethyl-3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]pentyl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 58400651
3-(1-Azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 66793174
(1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 69053054
8-Methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-8-azabicyclo[3.2.1]octane
CID 91522363
8-Propan-2-yl-3-[5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane
CID 132192973
6-[[3-(1,2,3,5,6,7,8,8a-Octahydroindolizin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]methyl]-1-methyl-1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepine
CID 134197378
3-Tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-4-methylpentan-2-yl]-8-azabicyclo[3.2.1]octane
CID 134410977
3-Methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 135188561
7-(1,2,3,5,6,7,8,8a-Octahydroindolizin-6-ylmethyl)-1-methyl-1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepine
CID 135255022
3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane
CID 138616809
6-(1,2,3,5,6,7,8,8a-Octahydroindolizin-6-ylmethyl)-1-methyl-1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepine
CID 138702652

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane?
The IUPAC name of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane (CID 161224819) is 3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane is C.CC1CC2CCC(C1)N2C.CC1CC2CCN(C1)C2.
What is the InChIKey of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane?
The InChIKey is UXZBUJKGNZJAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H15N.CH4/c1-7-5-8-3-4-9(6-7)10(8)2;1-7-4-8-2-3-9(5-7)6-8;/h7-9H,3-6H2,1-2H3;7-8H,2-6H2,1H3;1H4.
What are the key properties of 3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane?
3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane has a molecular weight of 280.50 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;3-methyl-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 161224819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).