di(propylidene)azanium

C6H12N+ — CID 19699475

IUPACdi(propylidene)azanium
SMILESCCC=[N+]=CCC
InChIInChI=1S/C6H12N/c1-3-5-7-6-4-2/h5-6H,3-4H2,1-2H3/q+1
InChIKeyWOFAHMISPHZDGC-UHFFFAOYSA-N
MW98.17 g/mol
LogP1.02
Rot. Bonds2

About di(propylidene)azanium

di(propylidene)azanium (PubChem CID 19699475) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is di(propylidene)azanium.

Molecular Properties

Compound Namedi(propylidene)azanium
PubChem CID19699475
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Namedi(propylidene)azanium
SMILESCCC=[N+]=CCC
InChIInChI=1S/C6H12N/c1-3-5-7-6-4-2/h5-6H,3-4H2,1-2H3/q+1
InChIKeyWOFAHMISPHZDGC-UHFFFAOYSA-N
XLogP1.02
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

carbon dioxide;1-diazopropane;methane
CID 160799033
propylidenesilane
CID 101343213
hex-3-ene;hydrochloride
CID 159012047
hex-3-ene;sulfane
CID 174453265
1-tritiobut-1-ene
CID 90763212
(E)-2,2-dimethylhex-3-ene
CID 5357261
CID 102590129
CID 102590129
(5E)-octa-3,5-diene
CID 173104147
propanal;propane
CID 91031727
(Z)-hex-3-ene;methylazanium
CID 158917607
but-1-ene;dihydrofluoride
CID 175726295
magnesium;(Z)-hex-3-ene;dibromide
CID 175085917

Frequently Asked Questions

What is the IUPAC name of di(propylidene)azanium?
The IUPAC name of di(propylidene)azanium (CID 19699475) is di(propylidene)azanium.
What is the SMILES notation for di(propylidene)azanium?
The canonical SMILES for di(propylidene)azanium is CCC=[N+]=CCC.
What is the InChIKey of di(propylidene)azanium?
The InChIKey is WOFAHMISPHZDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N/c1-3-5-7-6-4-2/h5-6H,3-4H2,1-2H3/q+1.
What are the key properties of di(propylidene)azanium?
di(propylidene)azanium has a molecular weight of 98.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(propylidene)azanium is sourced from PubChem (CID 19699475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).