3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride

C8H18ClN3 — CID 5351932

IUPAC3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride
SMILESCCN=C=NCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H
InChIKeyFPQQSJJWHUJYPU-UHFFFAOYSA-N
MW191.71 g/mol
LogP-3.28
Rot. Bonds5

About 3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride

3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride (PubChem CID 5351932) has the molecular formula C8H18ClN3 and a molecular weight of 191.71 g/mol. Its IUPAC name is 3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride.

Molecular Properties

Compound Name3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride
PubChem CID5351932
Molecular FormulaC8H18ClN3
Molecular Weight191.71 g/mol
Exact Mass191.12
IUPAC Name3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride
SMILESCCN=C=NCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H
InChIKeyFPQQSJJWHUJYPU-UHFFFAOYSA-N
XLogP-3.28
TPSA29.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.71
LogP ≤ 5-3.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-3-(3-dimethylaminopropyl)-carbodiimide
CID 4377771
N-(3-methylaminopropyl)-N'-ethylcarbodiimide hydrochloride
CID 9794023
1-(3-Methylaminopropyl)-3-ethylcarbodiimide
CID 9794024
1-Ethyl-(3,3-dimethylaminopropyl)carbodiimide
CID 18329082
3-Aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium
CID 21226076
1,3-Dimethylaminopropyl-3-ethylcarbodiimide hydrochloride
CID 23063872
1-(3,3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride
CID 57429985
Methylaminopropylcarbodiimide hydrochloride
CID 88595597
3-(Dimethylamino)propyl-(ethyliminomethylidene)azanium chloride
CID 19359203
3-(Dimethylamino)propyl-(ethyliminomethylidene)azanium chloride
CID 24941008
3-(Dimethylamino)propyliminomethylidene-ethylazanium chloride
CID 54022473
3-(Ethyliminomethylideneamino)propyl-dimethylazanium chloride
CID 58757577

Frequently Asked Questions

What is the IUPAC name of 3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride?
The IUPAC name of 3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride (CID 5351932) is 3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride.
What is the SMILES notation for 3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride?
The canonical SMILES for 3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride is CCN=C=NCCC[NH+](C)C.[Cl-].
What is the InChIKey of 3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride?
The InChIKey is FPQQSJJWHUJYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H.
What are the key properties of 3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride?
3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride has a molecular weight of 191.71 g/mol, XLogP of -3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethyliminomethylideneamino)propyl-dimethylazanium chloride is sourced from PubChem (CID 5351932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).