2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine

C11H22N2 — CID 130857179

IUPAC2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine
SMILESCC(C)NC1CC2CCC1N(C)C2
InChIInChI=1S/C11H22N2/c1-8(2)12-10-6-9-4-5-11(10)13(3)7-9/h8-12H,4-7H2,1-3H3
InChIKeyIHMGGPJEYKAAHY-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds2

About 2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine

2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine (PubChem CID 130857179) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine
PubChem CID130857179
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine
SMILESCC(C)NC1CC2CCC1N(C)C2
InChIInChI=1S/C11H22N2/c1-8(2)12-10-6-9-4-5-11(10)13(3)7-9/h8-12H,4-7H2,1-3H3
InChIKeyIHMGGPJEYKAAHY-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine
CID 129230741
2-methyl-2-azabicyclo[2.2.2]octan-6-amine
CID 55285034
(2R,4R,5R)-1,2,5-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 93258428
(3R,4R)-4-methoxy-1-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 122696201
trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
CID 134438039
(3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine
CID 171638746
(1R,3R)-6-methyl-6-azabicyclo[3.2.2]nonan-3-amine
CID 129230742
2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 158361324
N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 20628086
N-propan-2-ylbicyclo[3.3.1]nonan-3-amine
CID 59530623
5-methyl-5-azabicyclo[2.1.0]pentane
CID 102031260
3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole
CID 163860940

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine (CID 130857179) is 2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine is CC(C)NC1CC2CCC1N(C)C2.
What is the InChIKey of 2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine?
The InChIKey is IHMGGPJEYKAAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)12-10-6-9-4-5-11(10)13(3)7-9/h8-12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine?
2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine is sourced from PubChem (CID 130857179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).