2-cyanoprop-1-enylideneazanide;tetrabutylazanium

C20H39N3 — CID 139725157

IUPAC2-cyanoprop-1-enylideneazanide;tetrabutylazanium
SMILESCC(=C=[N-])C#N.CCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36N.C4H3N2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-4(2-5)3-6/h5-16H2,1-4H3;1H3/q+1;-1
InChIKeyOSCKNVHWEOYXNS-UHFFFAOYSA-N
MW321.55 g/mol
LogP5.70
Rot. Bonds12

About 2-cyanoprop-1-enylideneazanide;tetrabutylazanium

2-cyanoprop-1-enylideneazanide;tetrabutylazanium (PubChem CID 139725157) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 2-cyanoprop-1-enylideneazanide;tetrabutylazanium.

Molecular Properties

Compound Name2-cyanoprop-1-enylideneazanide;tetrabutylazanium
PubChem CID139725157
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name2-cyanoprop-1-enylideneazanide;tetrabutylazanium
SMILESCC(=C=[N-])C#N.CCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36N.C4H3N2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-4(2-5)3-6/h5-16H2,1-4H3;1H3/q+1;-1
InChIKeyOSCKNVHWEOYXNS-UHFFFAOYSA-N
XLogP5.70
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium;bis(2,2-dicyanoethenylideneazanide);bis(trihexyl(tetradecyl)azanium);bromide
CID 161080672
tetrabutylazanium;pentahydrate
CID 173386676
cyanic acid;tetrapentylazanium
CID 88689750
[2-[4-[4-(2-azanidylidene-1-cyanoethenyl)phenyl]phenyl]-2-cyanoethenylidene]azanide;bis(tetrabutylazanium)
CID 44630139
tetrabutylazanium;fluoride;dihydrate
CID 22343550
copper;bis((2,2-dicyano-1-sulfaniumylethenyl)sulfanium);tetrabutylazanium
CID 54606880
cesium;hydride;tetrabutylazanium;hydrate
CID 174975191
butyl(tripentyl)azanium
CID 14022644
dodecane;tetrabutylazanium
CID 173225937
tetrabutylazanium hydroxide
CID 2723671
ethanol;tetrabutylazanium;chloride
CID 175552872
phosphoric acid;tetrabutylazanium;hydrate
CID 170920427

Frequently Asked Questions

What is the IUPAC name of 2-cyanoprop-1-enylideneazanide;tetrabutylazanium?
The IUPAC name of 2-cyanoprop-1-enylideneazanide;tetrabutylazanium (CID 139725157) is 2-cyanoprop-1-enylideneazanide;tetrabutylazanium.
What is the SMILES notation for 2-cyanoprop-1-enylideneazanide;tetrabutylazanium?
The canonical SMILES for 2-cyanoprop-1-enylideneazanide;tetrabutylazanium is CC(=C=[N-])C#N.CCCC[N+](CCCC)(CCCC)CCCC.
What is the InChIKey of 2-cyanoprop-1-enylideneazanide;tetrabutylazanium?
The InChIKey is OSCKNVHWEOYXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.C4H3N2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-4(2-5)3-6/h5-16H2,1-4H3;1H3/q+1;-1.
What are the key properties of 2-cyanoprop-1-enylideneazanide;tetrabutylazanium?
2-cyanoprop-1-enylideneazanide;tetrabutylazanium has a molecular weight of 321.55 g/mol, XLogP of 5.70, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoprop-1-enylideneazanide;tetrabutylazanium is sourced from PubChem (CID 139725157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).