Basic information
- CAS
74805-00-8- Standard SMILES
CC1CC(c2cccnc2)N(C)C1- InChIKey
FFVWMSOTNFVMFW-UHFFFAOYSA-N- Molecular formula
- C11H16N2
- Average molar mass
- 176.26 g/mol
- Monoisotopic mass
- 176.13134852
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4'-Methylnicotine
- IUPAC
- 3-(1,4-dimethylpyrrolidin-2-yl)pyridine
- English name
- 4'-methylnicotine
- Molecular formula
- C11H16N2
- Molecular weight
- 176.25814
Names & synonyms
74805-00-84'-MethylnicotineRefChem:960443-(1,4-dimethylpyrrolidin-2-yl)pyridineSCHEMBL1538387SCHEMBL41810543DTXSID20996330EN300-8333557
Database identifiers
- CAS
74805-00-8- PubChem CID
- 192039
- DTXSID
DTXSID20996330
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 16.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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