methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane

C9H19N — CID 158724020

IUPACmethane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane
SMILESC.C[C@@H]1CN2CCC1CC2
InChIInChI=1S/C8H15N.CH4/c1-7-6-9-4-2-8(7)3-5-9;/h7-8H,2-6H2,1H3;1H4/t7-;/m1./s1
InChIKeyIKGRABVTTIAWAJ-OGFXRTJISA-N
MW141.26 g/mol
LogP1.98
Rot. Bonds

About methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane

methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane (PubChem CID 158724020) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Namemethane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane
PubChem CID158724020
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Namemethane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane
SMILESC.C[C@@H]1CN2CCC1CC2
InChIInChI=1S/C8H15N.CH4/c1-7-6-9-4-2-8(7)3-5-9;/h7-8H,2-6H2,1H3;1H4/t7-;/m1./s1
InChIKeyIKGRABVTTIAWAJ-OGFXRTJISA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195015
(3R)-3-bromo-1-azabicyclo[2.2.2]octane
CID 51885065
carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium
CID 161086942
1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
CID 141361926
N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195000
3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane
CID 58364949
(3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine
CID 58707401
N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 20628086
1-azabicyclo[2.2.2]octan-3-yloxy(trimethyl)silane
CID 524282
3-methyl-1,5-diazabicyclo[3.2.2]nonane
CID 67679807
3-ethynyl-1-azabicyclo[2.2.2]octane
CID 20568211
(3R)-3-nitroso-1-azabicyclo[2.2.2]octane
CID 122592122

Frequently Asked Questions

What is the IUPAC name of methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane?
The IUPAC name of methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane (CID 158724020) is methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane is C.C[C@@H]1CN2CCC1CC2.
What is the InChIKey of methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane?
The InChIKey is IKGRABVTTIAWAJ-OGFXRTJISA-N. The full InChI is InChI=1S/C8H15N.CH4/c1-7-6-9-4-2-8(7)3-5-9;/h7-8H,2-6H2,1H3;1H4/t7-;/m1./s1.
What are the key properties of methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane?
methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane has a molecular weight of 141.26 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 158724020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).