Basic information
- CAS
646055-22-3- Standard SMILES
CC(C)CCCOCCCN- InChIKey
IWNIYAALLZXYPP-UHFFFAOYSA-N- Molecular formula
- C9H21NO
- Average molar mass
- 159.27 g/mol
- Monoisotopic mass
- 159.16231429
Names & identifiers
- Preferred name
- 3-[(4-Methylpentyl)oxy]propan-1-amine
- IUPAC
- 3-(4-methylpentoxy)propan-1-amine
Names & synonyms
646055-22-33-[(4-methylpentyl)oxy]propan-1-amineSCHEMBL3450775DTXSID80867638IWNIYAALLZXYPP-UHFFFAOYSA-NAKOS009163539NS00122398
Database identifiers
- CAS
646055-22-3、68479-00-5- PubChem CID
- 110352
- DTXSID
DTXSID80867638
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 74
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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