Diethylaminomethylidene(diethyl)azanium chloride

Name: Diethylaminomethylidene(diethyl)azanium chloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₂₁ClN₂ — CID 87214741

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACdiethylaminomethylidene(diethyl)azanium chloride

SMILESCCN(C=[N+](CC)CC)CC.[Cl-]

InChIInChI=1S/C9H21N2.ClH/c1-5-10(6-2)9-11(7-3)8-4;/h9H,5-8H2,1-4H3;1H/q+1;/p-1

InChIKeyQDLDLIRAAPKFKY-UHFFFAOYSA-M

MW192.73 g/mol

LogP-1.59

Rot. Bonds5

About Diethylaminomethylidene(diethyl)azanium chloride

Diethylaminomethylidene(diethyl)azanium chloride (PubChem CID 87214741) has the molecular formula C₉H₂₁ClN₂ and a molecular weight of 192.73 g/mol. Its IUPAC name is diethylaminomethylidene(diethyl)azanium chloride.

Molecular Properties

Compound Name	Diethylaminomethylidene(diethyl)azanium chloride
PubChem CID	87214741
Molecular Formula	C₉H₂₁ClN₂
Molecular Weight	192.73 g/mol
Exact Mass	192.14
IUPAC Name	diethylaminomethylidene(diethyl)azanium chloride
SMILES	CCN(C=[N+](CC)CC)CC.[Cl-]
InChI	InChI=1S/C9H21N2.ClH/c1-5-10(6-2)9-11(7-3)8-4;/h9H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKey	QDLDLIRAAPKFKY-UHFFFAOYSA-M
XLogP	-1.59
TPSA	6.25 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	5
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.73
LogP ≤ 5	-1.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Diethylaminomethylidene(diethyl)azanium chloride?

The IUPAC name of Diethylaminomethylidene(diethyl)azanium chloride (CID 87214741) is diethylaminomethylidene(diethyl)azanium chloride.

What is the SMILES notation for Diethylaminomethylidene(diethyl)azanium chloride?

The canonical SMILES for Diethylaminomethylidene(diethyl)azanium chloride is CCN(C=[N+](CC)CC)CC.[Cl-].

What is the InChIKey of Diethylaminomethylidene(diethyl)azanium chloride?

The InChIKey is QDLDLIRAAPKFKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H21N2.ClH/c1-5-10(6-2)9-11(7-3)8-4;/h9H,5-8H2,1-4H3;1H/q+1;/p-1.

What are the key properties of Diethylaminomethylidene(diethyl)azanium chloride?

Diethylaminomethylidene(diethyl)azanium chloride has a molecular weight of 192.73 g/mol, XLogP of -1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Diethylaminomethylidene(diethyl)azanium chloride is sourced from PubChem (CID 87214741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 87214741 — identifiers, structure, computed properties (public domain)

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