N'-[3-(ethylamino)propyl]propane-1,3-diamine

HCID 9855554

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Basic information

CAS: 10563-25-4
Standard SMILES: CCNCCCNCCCN
InChIKey: COEXCVHNZDHXTR-UHFFFAOYSA-N
Molecular formula: C8H21N3
Average molar mass: 159.27 g/mol
Monoisotopic mass: 159.17354768

Names & identifiers

Preferred name: N'-[3-(ethylamino)propyl]propane-1,3-diamine
IUPAC: N'-[3-(ethylamino)propyl]propane-1,3-diamine

Names & synonyms

10563-25-4CHEMBL37901SCHEMBL10081835SCHEMBL25319402DTXSID601246936N1-(3-Aminopropyl)-N3-ethyl-1,3-propanediamineN~1~-(3-Aminopropyl)-N~3~-ethylpropane-1,3-diamine

Database identifiers

CAS: 10563-25-4
PubChem CID: 9855554
DTXSID: DTXSID601246936
ChEMBL: CHEMBL37901
Nikkaji: J697.554B

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 50.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 11
Formal charge: 0
Complexity: 66.4

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