dimethylamino-(ethyliminomethylidene)-propylazanium

C8H18N3+ — CID 22596244

IUPACdimethylamino-(ethyliminomethylidene)-propylazanium
SMILESCCC[N+](=C=NCC)N(C)C
InChIInChI=1S/C8H18N3/c1-5-7-11(10(3)4)8-9-6-2/h5-7H2,1-4H3/q+1
InChIKeyQEFUELPVOFXDJH-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.08
Rot. Bonds4

About dimethylamino-(ethyliminomethylidene)-propylazanium

dimethylamino-(ethyliminomethylidene)-propylazanium (PubChem CID 22596244) has the molecular formula C8H18N3+ and a molecular weight of 156.25 g/mol. Its IUPAC name is dimethylamino-(ethyliminomethylidene)-propylazanium.

Molecular Properties

Compound Namedimethylamino-(ethyliminomethylidene)-propylazanium
PubChem CID22596244
Molecular FormulaC8H18N3+
Molecular Weight156.25 g/mol
Exact Mass156.15
IUPAC Namedimethylamino-(ethyliminomethylidene)-propylazanium
SMILESCCC[N+](=C=NCC)N(C)C
InChIInChI=1S/C8H18N3/c1-5-7-11(10(3)4)8-9-6-2/h5-7H2,1-4H3/q+1
InChIKeyQEFUELPVOFXDJH-UHFFFAOYSA-N
XLogP1.08
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.08
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?
The IUPAC name of dimethylamino-(ethyliminomethylidene)-propylazanium (CID 22596244) is dimethylamino-(ethyliminomethylidene)-propylazanium.
What is the SMILES notation for dimethylamino-(ethyliminomethylidene)-propylazanium?
The canonical SMILES for dimethylamino-(ethyliminomethylidene)-propylazanium is CCC[N+](=C=NCC)N(C)C.
What is the InChIKey of dimethylamino-(ethyliminomethylidene)-propylazanium?
The InChIKey is QEFUELPVOFXDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N3/c1-5-7-11(10(3)4)8-9-6-2/h5-7H2,1-4H3/q+1.
What are the key properties of dimethylamino-(ethyliminomethylidene)-propylazanium?
dimethylamino-(ethyliminomethylidene)-propylazanium has a molecular weight of 156.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-(ethyliminomethylidene)-propylazanium is sourced from PubChem (CID 22596244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).