N-(oxolan-2-ylmethyl)butan-1-amine

HCID 263177

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Basic information

CAS: 55100-03-3
Standard SMILES: CCCCNCC1CCCO1
InChIKey: YKUOFUJTZXBNMD-UHFFFAOYSA-N
Molecular formula: C9H19NO
Average molar mass: 157.25 g/mol
Monoisotopic mass: 157.14666423

Names & identifiers

Preferred name: N-(oxolan-2-ylmethyl)butan-1-amine
IUPAC: N-(oxolan-2-ylmethyl)butan-1-amine

Names & synonyms

55100-03-3MLS000737191N-((Tetrahydrofuran-2-yl)methyl)butan-1-amineN-(oxolan-2-ylmethyl)butan-1-amineNSC97538CHEMBL1431284SCHEMBL12846940DTXSID00294644HMS2885I10NSC-97538AKOS000243343AKOS017277536

Show more names

N-[(Oxolan-2-yl)methyl]butan-1-amineSMR000528454

Database identifiers

CAS: 55100-03-3
PubChem CID: 263177
DTXSID: DTXSID00294644
ChEMBL: CHEMBL1431284

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 95.6

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