3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium

C8H19N3+2 — CID 21226076

IUPAC3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium
SMILESCC[N+](=C=[N+](C)C)CCCN
InChIInChI=1S/C8H19N3/c1-4-11(7-5-6-9)8-10(2)3/h4-7,9H2,1-3H3/q+2
InChIKeyIGAPJAKJDDVXQI-UHFFFAOYSA-N
MW157.26 g/mol
LogP-0.19
Rot. Bonds4

About 3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium

3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium (PubChem CID 21226076) has the molecular formula C8H19N3+2 and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium.

Molecular Properties

Compound Name3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium
PubChem CID21226076
Molecular FormulaC8H19N3+2
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium
SMILESCC[N+](=C=[N+](C)C)CCCN
InChIInChI=1S/C8H19N3/c1-4-11(7-5-6-9)8-10(2)3/h4-7,9H2,1-3H3/q+2
InChIKeyIGAPJAKJDDVXQI-UHFFFAOYSA-N
XLogP-0.19
TPSA32.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium 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-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium?
The IUPAC name of 3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium (CID 21226076) is 3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium.
What is the SMILES notation for 3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium?
The canonical SMILES for 3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium is CC[N+](=C=[N+](C)C)CCCN.
What is the InChIKey of 3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium?
The InChIKey is IGAPJAKJDDVXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-4-11(7-5-6-9)8-10(2)3/h4-7,9H2,1-3H3/q+2.
What are the key properties of 3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium?
3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium has a molecular weight of 157.26 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-(dimethylazaniumylidenemethylidene)-ethylazanium is sourced from PubChem (CID 21226076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).