Basic information
- CAS
4730-16-9- Standard SMILES
C=CCNC(C)CCC=C(C)C- InChIKey
DZDMCNWRZMNEGT-UHFFFAOYSA-N- Molecular formula
- C11H21N
- Average molar mass
- 167.29 g/mol
- Monoisotopic mass
- 167.16739967
Names & identifiers
- Preferred name
- 6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
- IUPAC
- 6-methyl-N-prop-2-enylhept-5-en-2-amine
- English name
- N-Allyl-6-methyl-5-hepten-2-amine
- Molecular formula
- C11H21N
- Molecular weight
- 167.29
Names & synonyms
4730-16-9DTXSID109637986-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amineRefChem:1074083DTXCID101391530N-Allyl-1,5-dimethyl-4-hexenylamineBRN 24097464-HEXENYLAMINE, N-ALLYL-1,5-DIMETHYL-N-Allyl-6-methyl-5-hepten-2-amine5-Hepten-2-amine, 6-methyl-N-2-propen-1-yl-
Database identifiers
- CAS
4730-16-9- PubChem CID
- 20850
- DTXSID
DTXSID10963798- Nikkaji
- J49.439I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 223.2 · 223.2±9.0 °C(Predicted)
- Density
- 0.805 · 0.805±0.06 g/cm3(Predicted)
- pka
- 9.93 · 9.93±0.19(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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