dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride

C8H19ClN3+ — CID 22596243

IUPACdimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride
SMILESCCC[N+](=C=NCC)N(C)C.Cl
InChIInChI=1S/C8H18N3.ClH/c1-5-7-11(10(3)4)8-9-6-2;/h5-7H2,1-4H3;1H/q+1;
InChIKeyURJJKVOCCVGTEQ-UHFFFAOYSA-N
MW192.71 g/mol
LogP1.50
Rot. Bonds4

About dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride

dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride (PubChem CID 22596243) has the molecular formula C8H19ClN3+ and a molecular weight of 192.71 g/mol. Its IUPAC name is dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride.

Molecular Properties

Compound Namedimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride
PubChem CID22596243
Molecular FormulaC8H19ClN3+
Molecular Weight192.71 g/mol
Exact Mass192.13
IUPAC Namedimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride
SMILESCCC[N+](=C=NCC)N(C)C.Cl
InChIInChI=1S/C8H18N3.ClH/c1-5-7-11(10(3)4)8-9-6-2;/h5-7H2,1-4H3;1H/q+1;
InChIKeyURJJKVOCCVGTEQ-UHFFFAOYSA-N
XLogP1.50
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.71
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride?
The IUPAC name of dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride (CID 22596243) is dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride.
What is the SMILES notation for dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride?
The canonical SMILES for dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride is CCC[N+](=C=NCC)N(C)C.Cl.
What is the InChIKey of dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride?
The InChIKey is URJJKVOCCVGTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N3.ClH/c1-5-7-11(10(3)4)8-9-6-2;/h5-7H2,1-4H3;1H/q+1;.
What are the key properties of dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride?
dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride has a molecular weight of 192.71 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride is sourced from PubChem (CID 22596243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).