Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

HCID 49548

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Basic information

CAS: 67196-21-8
Standard SMILES: COC(=O)N1C2CCC1CN(C)C2
InChIKey: FEZVKEOPBBKYEP-UHFFFAOYSA-N
Molecular formula: C9H16N2O2
Average molar mass: 184.24 g/mol
Monoisotopic mass: 184.12117776

Names & identifiers

Preferred name: Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
IUPAC: methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
English name: 3-Methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid methyl ester
Molecular formula: C9H16N2O2
Molecular weight: 184.24

Names & synonyms

67196-21-8BRN 0514555methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate3-Methyl-3,8-diazabicyclo(3.2.1)octane-8-carboxylic acid, methyl ester3,8-DIAZABICYCLO(3.2.1)OCTANE-8-CARBOXYLIC ACID, 3-METHYL-, METHYL ESTERSCHEMBL10196650DTXSID709862863-Methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid methyl ester3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-methyl-, methyl ester

Database identifiers

CAS: 67196-21-8
PubChem CID: 49548
DTXSID: DTXSID70986286
Nikkaji: J68.408B

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 32.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 206

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