2-methyl-3-azabicyclo[3.2.1]octane

C8H15N — CID 20522177

IUPAC2-methyl-3-azabicyclo[3.2.1]octane
SMILESCC1NCC2CCC1C2
InChIInChI=1S/C8H15N/c1-6-8-3-2-7(4-8)5-9-6/h6-9H,2-5H2,1H3
InChIKeyHBSYJDNMCYOBMR-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.39
Rot. Bonds

About 2-methyl-3-azabicyclo[3.2.1]octane

2-methyl-3-azabicyclo[3.2.1]octane (PubChem CID 20522177) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 2-methyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-methyl-3-azabicyclo[3.2.1]octane
PubChem CID20522177
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name2-methyl-3-azabicyclo[3.2.1]octane
SMILESCC1NCC2CCC1C2
InChIInChI=1S/C8H15N/c1-6-8-3-2-7(4-8)5-9-6/h6-9H,2-5H2,1H3
InChIKeyHBSYJDNMCYOBMR-UHFFFAOYSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane
CID 102547992
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
(1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane
CID 129373109
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
(1S,2R,5R)-2-methyl-7-pentyl-3,7-diazabicyclo[3.3.1]nonane
CID 124746802
tricyclo[5.3.2.04,9]dodecane
CID 54490019
(3R)-2,3-dimethylazetidine
CID 154523082
2-azabicyclo[2.2.1]heptane;azane;hydrate
CID 175690647
3-methyl-2-azabicyclo[2.2.1]heptane
CID 20805027
5-cyclobutyl-2,3-dimethylpiperidine
CID 130560543

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of 2-methyl-3-azabicyclo[3.2.1]octane (CID 20522177) is 2-methyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-methyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-methyl-3-azabicyclo[3.2.1]octane is CC1NCC2CCC1C2.
What is the InChIKey of 2-methyl-3-azabicyclo[3.2.1]octane?
The InChIKey is HBSYJDNMCYOBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6-8-3-2-7(4-8)5-9-6/h6-9H,2-5H2,1H3.
What are the key properties of 2-methyl-3-azabicyclo[3.2.1]octane?
2-methyl-3-azabicyclo[3.2.1]octane has a molecular weight of 125.22 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 20522177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).