3-bromo-N,N-diethylpropan-1-amine

HCID 415291

Notes Reactions

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Basic information

Standard SMILES: CCN(CC)CCCBr
InChIKey: UPASYJUQYLIDMN-UHFFFAOYSA-N
Molecular formula: C7H16BrN
Average molar mass: 194.11 g/mol

Names & identifiers

Preferred name: 3-bromo-N,N-diethylpropan-1-amine
IUPAC: 3-bromo-N,N-diethylpropan-1-amine

Names & synonyms

3-bromo-N,N-diethylpropan-1-amine108553-02-2(3-bromopropyl)diethylamine3-bromopropyldiethylamine3-diethylamino propyl bromideSCHEMBL2008784UPASYJUQYLIDMN-UHFFFAOYSA-NAKOS010540986DB-117181

Database identifiers

PubChem CID: 415291

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 52.9

Related reactions

20 records

New reaction record

HRID 47113As reactantuspto-grants-1979_11

HRID 109237As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 118166As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119916As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 134659As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 158745As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 204825As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 299382As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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