1-Ethyl-3-(3-dimethylaminopropyl)-carbodiimide

HCID 4377771

Notes Reactions

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Basic information

Standard SMILES: CCN=C=NCCC[NH+](C)C
InChIKey: LMDZBCPBFSXMTL-UHFFFAOYSA-O
Molecular formula: C8H18N3+
Average molar mass: 156.25 g/mol

Names & identifiers

Preferred name: 1-Ethyl-3-(3-dimethylaminopropyl)-carbodiimide
IUPAC: 3-(ethyliminomethylideneamino)propyl-dimethylazanium

Names & synonyms

1-ethyl-3-(3-dimethylaminopropyl)-carbodiimideRefChem:1055426

Database identifiers

PubChem CID: 4377771

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 29.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 1
Complexity: 134

Related reactions

4 records

New reaction record

HRID 837386 reaction equation

HRID 837386As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1117137 reaction equation

HRID 1117137As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1572161 reaction equation

HRID 1572161As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2153715 reaction equation

HRID 2153715As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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