N-(Furan-2-ylmethylene)-3-methylbutylamine
Basic information
- CAS
2170864-62-5- Standard SMILES
CC(C)CCN=Cc1ccco1- InChIKey
TWRSDQOEZIGDMD-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Overview
(E)-1-(furan-2-yl)-N-isopentylmethanimine is a heteroarene.
Names & identifiers
- Preferred name
- N-(Furan-2-ylmethylene)-3-methylbutylamine
- IUPAC
- 1-(furan-2-yl)-N-(3-methylbutyl)methanimine
- English name
- N-(furan-2-ylmethylene)-3-methylbutylamine
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
N-(Furan-2-ylmethylene)-3-methylbutylamine52074-26-71-(furan-2-yl)-N-(3-methylbutyl)methanimine(E)-1-(furan-2-yl)-N-isopentylmethanimineN-(2-Furanylmethylene)-3-methyl-1-butanamine1-Butanamine, N-(2-furanylmethylene)-3-methyl-EINECS 257-640-0N-FurfurylideneisopentylamineCHEBI:220107TWRSDQOEZIGDMD-DHZHZOJOSA-NTWRSDQOEZIGDMD-UHFFFAOYSA-NDTXSID001255931
Show more names
MB96PK6663DB-298522NS000596711-(uran-2-yl)-N-(3-methylbutyl)methanimineN-[(E)-2-Furylmethylidene]-3-methyl-1-butanamine #2170864-62-5
Database identifiers
- CAS
2170864-62-5、52074-26-7- PubChem CID
- 103583
- DTXSID
DTXSID001255931- ChEBI
CHEBI:220107- UNII
- MB96PK6663
- EC Number
- 257-640-0
- Nikkaji
- J279.438A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 228.2 · 228.2±13.0 °C(Predicted)
- Density
- 0.94 · 0.94±0.1 g/cm3(Predicted)
- pka
- 5.18 · 5.18±0.50(Predicted)
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Related reactions
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Compound notes
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