3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium

C10H22N2+2 — CID 59439858

IUPAC3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium
SMILESC=C/[N+](=C\C)CCC[N+](C)(C)C
InChIInChI=1S/C10H22N2/c1-6-11(7-2)9-8-10-12(3,4)5/h6-7H,1,8-10H2,2-5H3/q+2/b11-7+
InChIKeyWRJNFTQWYLXRKK-YRNVUSSQSA-N
MW170.30 g/mol
LogP1.33
Rot. Bonds5

About 3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium

3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium (PubChem CID 59439858) has the molecular formula C10H22N2+2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium.

Molecular Properties

Compound Name3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium
PubChem CID59439858
Molecular FormulaC10H22N2+2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium
SMILESC=C/[N+](=C\C)CCC[N+](C)(C)C
InChIInChI=1S/C10H22N2/c1-6-11(7-2)9-8-10-12(3,4)5/h6-7H,1,8-10H2,2-5H3/q+2/b11-7+
InChIKeyWRJNFTQWYLXRKK-YRNVUSSQSA-N
XLogP1.33
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium?
The IUPAC name of 3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium (CID 59439858) is 3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium.
What is the SMILES notation for 3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium?
The canonical SMILES for 3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium is C=C/[N+](=C\C)CCC[N+](C)(C)C.
What is the InChIKey of 3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium?
The InChIKey is WRJNFTQWYLXRKK-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H22N2/c1-6-11(7-2)9-8-10-12(3,4)5/h6-7H,1,8-10H2,2-5H3/q+2/b11-7+.
What are the key properties of 3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium?
3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium has a molecular weight of 170.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethenyl(ethylidene)azaniumyl]propyl-trimethylazanium is sourced from PubChem (CID 59439858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).