2-Propanamine, N-(1-methylpropylidene)-
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Basic information
- CAS
38836-39-4- Standard SMILES
CCC(C)=NC(C)C- InChIKey
PPKQQUAFBRDFGV-UHFFFAOYSA-N- Molecular formula
- C7H15N
- Average molar mass
- 113.2 g/mol
- Monoisotopic mass
- 113.12044948
Names & identifiers
- Preferred name
- 2-Propanamine, N-(1-methylpropylidene)-
- IUPAC
- N-propan-2-ylbutan-2-imine
- English name
- N-Isopropylbutane-2-imine
- Molecular formula
- C7H15N
- Molecular weight
- 113.2
Names & synonyms
N-Isopropyl-2-butanonimine2-Propanamine, N-(1-methylpropylidene)-38836-39-4N-(Propan-2-yl)butan-2-imineSCHEMBL16804879SCHEMBL17041927SCHEMBL27734257PPKQQUAFBRDFGV-BQYQJAHWSA-NDTXSID001358189N-[(E)-1-Methylpropylidene]-2-propanamine #N-Isopropylbutane-2-imineN-(1-Methylpropylidene)-2-propanamine
Database identifiers
- CAS
38836-39-4- PubChem CID
- 535666
- DTXSID
DTXSID001358189- Nikkaji
- J121.079C、J2.503.522D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82.4
Physicochemical properties
- Boiling point
- 136.532 · 136.532±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.775 · 0.775±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.42 · 7.420±0.50(predicted)
- EPA Substance Registry System
- -2 · N-Isopropyl-2-butanonimine (38836-39-4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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