3-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride

C8H18ClN3 — CID 24941008

IUPAC3-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride
SMILESCCN=C=[NH+]CCCN(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-3.78
Rot. Bonds5

About 3-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride

3-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride (PubChem CID 24941008) has the molecular formula C8H18ClN3 and a molecular weight of 191.71 g/mol. Its IUPAC name is 3-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride.

Molecular Properties

Compound Name3-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride
PubChem CID24941008
Molecular FormulaC8H18ClN3
Molecular Weight191.71 g/mol
Exact Mass191.12
IUPAC Name3-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride
SMILESCCN=C=[NH+]CCCN(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-3.78
TPSA29.57 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 ≤ 5-3.78
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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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride?
The IUPAC name of 3-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride (CID 24941008) is 3-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride.
What is the SMILES notation for 3-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride?
The canonical SMILES for 3-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride is CCN=C=[NH+]CCCN(C)C.[Cl-].
What is the InChIKey of 3-(dimethylamino)propyl-(ethyliminomethylidene)azanium 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-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride?
3-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride has a molecular weight of 191.71 g/mol, XLogP of -3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl-(ethyliminomethylidene)azanium chloride is sourced from PubChem (CID 24941008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).