3-(dimethylamino)propyliminomethylidene-diethylazanium

C10H22N3+ — CID 18454445

IUPAC3-(dimethylamino)propyliminomethylidene-diethylazanium
SMILESCC[N+](=C=NCCCN(C)C)CC
InChIInChI=1S/C10H22N3/c1-5-13(6-2)10-11-8-7-9-12(3)4/h5-9H2,1-4H3/q+1
InChIKeyRMDVGSHUHCRNSE-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.16
Rot. Bonds6

About 3-(dimethylamino)propyliminomethylidene-diethylazanium

3-(dimethylamino)propyliminomethylidene-diethylazanium (PubChem CID 18454445) has the molecular formula C10H22N3+ and a molecular weight of 184.31 g/mol. Its IUPAC name is 3-(dimethylamino)propyliminomethylidene-diethylazanium.

Molecular Properties

Compound Name3-(dimethylamino)propyliminomethylidene-diethylazanium
PubChem CID18454445
Molecular FormulaC10H22N3+
Molecular Weight184.31 g/mol
Exact Mass184.18
IUPAC Name3-(dimethylamino)propyliminomethylidene-diethylazanium
SMILESCC[N+](=C=NCCCN(C)C)CC
InChIInChI=1S/C10H22N3/c1-5-13(6-2)10-11-8-7-9-12(3)4/h5-9H2,1-4H3/q+1
InChIKeyRMDVGSHUHCRNSE-UHFFFAOYSA-N
XLogP1.16
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)propyliminomethylidene-diethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyliminomethylidene-diethylazanium?
The IUPAC name of 3-(dimethylamino)propyliminomethylidene-diethylazanium (CID 18454445) is 3-(dimethylamino)propyliminomethylidene-diethylazanium.
What is the SMILES notation for 3-(dimethylamino)propyliminomethylidene-diethylazanium?
The canonical SMILES for 3-(dimethylamino)propyliminomethylidene-diethylazanium is CC[N+](=C=NCCCN(C)C)CC.
What is the InChIKey of 3-(dimethylamino)propyliminomethylidene-diethylazanium?
The InChIKey is RMDVGSHUHCRNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N3/c1-5-13(6-2)10-11-8-7-9-12(3)4/h5-9H2,1-4H3/q+1.
What are the key properties of 3-(dimethylamino)propyliminomethylidene-diethylazanium?
3-(dimethylamino)propyliminomethylidene-diethylazanium has a molecular weight of 184.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyliminomethylidene-diethylazanium is sourced from PubChem (CID 18454445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).