ethenylidene(pentan-2-ylidene)azanium

C7H12N+ — CID 123775306

IUPACethenylidene(pentan-2-ylidene)azanium
SMILESC=C=[N+]=C(C)CCC
InChIInChI=1S/C7H12N/c1-4-6-7(3)8-5-2/h2,4,6H2,1,3H3/q+1
InChIKeyHYWUBIZUCVTGPN-UHFFFAOYSA-N
MW110.18 g/mol
LogP1.17
Rot. Bonds2

About ethenylidene(pentan-2-ylidene)azanium

ethenylidene(pentan-2-ylidene)azanium (PubChem CID 123775306) has the molecular formula C7H12N+ and a molecular weight of 110.18 g/mol. Its IUPAC name is ethenylidene(pentan-2-ylidene)azanium.

Molecular Properties

Compound Nameethenylidene(pentan-2-ylidene)azanium
PubChem CID123775306
Molecular FormulaC7H12N+
Molecular Weight110.18 g/mol
Exact Mass110.10
IUPAC Nameethenylidene(pentan-2-ylidene)azanium
SMILESC=C=[N+]=C(C)CCC
InChIInChI=1S/C7H12N/c1-4-6-7(3)8-5-2/h2,4,6H2,1,3H3/q+1
InChIKeyHYWUBIZUCVTGPN-UHFFFAOYSA-N
XLogP1.17
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of ethenylidene(pentan-2-ylidene)azanium?
The IUPAC name of ethenylidene(pentan-2-ylidene)azanium (CID 123775306) is ethenylidene(pentan-2-ylidene)azanium.
What is the SMILES notation for ethenylidene(pentan-2-ylidene)azanium?
The canonical SMILES for ethenylidene(pentan-2-ylidene)azanium is C=C=[N+]=C(C)CCC.
What is the InChIKey of ethenylidene(pentan-2-ylidene)azanium?
The InChIKey is HYWUBIZUCVTGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N/c1-4-6-7(3)8-5-2/h2,4,6H2,1,3H3/q+1.
What are the key properties of ethenylidene(pentan-2-ylidene)azanium?
ethenylidene(pentan-2-ylidene)azanium has a molecular weight of 110.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylidene(pentan-2-ylidene)azanium is sourced from PubChem (CID 123775306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).