N-(4-((3-Aminopropyl)amino)butyl)-2,2-dihydroxyacetamide

HCID 133565CAS 99092-98-5

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Basic information

Standard SMILES: NCCCNCCCCNC(=O)C(O)O
InChIKey: PYIZVKUBZVSTJN-UHFFFAOYSA-N
Molecular formula: C9H21N3O3
Average molar mass: 219.28 g/mol
Monoisotopic mass: 219.15829153

Names & identifiers

Preferred name: N-(4-((3-Aminopropyl)amino)butyl)-2,2-dihydroxyacetamide
IUPAC: N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide

Names & synonyms

99092-98-5N-[4-[(3-Aminopropyl)amino]butyl]-2,2-dihydroxyacetamideN-{4-[(3-aminopropyl)amino]butyl}-2,2-dihydroxyacetamideN-(4-((3-Aminopropyl)amino)butyl)-2,2-dihydroxyacetamideRefChem:361582N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamideSCHEMBL9772212DTXSID201199660

Database identifiers

CAS: 99092-98-5
PubChem CID: 133565
DTXSID: DTXSID201199660
Nikkaji: J1.072.700F

Properties

Computed structural properties

XLogP: -2
Topological polar surface area: 108 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 15
Formal charge: 0
Complexity: 165

Related reactions

4 records

New reaction record

HRID 159400As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 690677As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1201773As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2146462As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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