[N(E),2S]-2-(Methoxymethyl)-N-(3-methylbutylidene)-1-pyrrolidinamine
Basic information
- CAS
72203-95-3- Standard SMILES
COC[C@@H]1CCCN1/N=C/CC(C)C- InChIKey
DEPWTSBRQNJFRQ-WBOGTDJTSA-N- Molecular formula
- C11H22N2O
- Average molar mass
- 198.31 g/mol
- Monoisotopic mass
- 198.17321333
Names & identifiers
- Preferred name
- [N(E),2S]-2-(Methoxymethyl)-N-(3-methylbutylidene)-1-pyrrolidinamine
- IUPAC
- (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-imine
Names & synonyms
72203-95-3DTXSID801158416[N(E),2S]-2-(Methoxymethyl)-N-(3-methylbutylidene)-1-pyrrolidinamine(1E)-N-[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-imine
Database identifiers
- CAS
72203-95-3- PubChem CID
- 15315596
- DTXSID
DTXSID801158416- Nikkaji
- J1.419.532G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
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Compound notes
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