diaminomethylidene(ethyl)azanium;ethene

C5H14N3+ — CID 158043587

IUPACdiaminomethylidene(ethyl)azanium;ethene
SMILESC=C.CC[NH+]=C(N)N
InChIInChI=1S/C3H9N3.C2H4/c1-2-6-3(4)5;1-2/h2H2,1H3,(H4,4,5,6);1-2H2/p+1
InChIKeyFIQKYVLXAOUOIR-UHFFFAOYSA-O
MW116.19 g/mol
LogP-1.84
Rot. Bonds1

About diaminomethylidene(ethyl)azanium;ethene

diaminomethylidene(ethyl)azanium;ethene (PubChem CID 158043587) has the molecular formula C5H14N3+ and a molecular weight of 116.19 g/mol. Its IUPAC name is diaminomethylidene(ethyl)azanium;ethene.

Molecular Properties

Compound Namediaminomethylidene(ethyl)azanium;ethene
PubChem CID158043587
Molecular FormulaC5H14N3+
Molecular Weight116.19 g/mol
Exact Mass116.12
IUPAC Namediaminomethylidene(ethyl)azanium;ethene
SMILESC=C.CC[NH+]=C(N)N
InChIInChI=1S/C3H9N3.C2H4/c1-2-6-3(4)5;1-2/h2H2,1H3,(H4,4,5,6);1-2H2/p+1
InChIKeyFIQKYVLXAOUOIR-UHFFFAOYSA-O
XLogP-1.84
TPSA66.01 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diaminomethylidene(ethyl)azanium;ethene?
The IUPAC name of diaminomethylidene(ethyl)azanium;ethene (CID 158043587) is diaminomethylidene(ethyl)azanium;ethene.
What is the SMILES notation for diaminomethylidene(ethyl)azanium;ethene?
The canonical SMILES for diaminomethylidene(ethyl)azanium;ethene is C=C.CC[NH+]=C(N)N.
What is the InChIKey of diaminomethylidene(ethyl)azanium;ethene?
The InChIKey is FIQKYVLXAOUOIR-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9N3.C2H4/c1-2-6-3(4)5;1-2/h2H2,1H3,(H4,4,5,6);1-2H2/p+1.
What are the key properties of diaminomethylidene(ethyl)azanium;ethene?
diaminomethylidene(ethyl)azanium;ethene has a molecular weight of 116.19 g/mol, XLogP of -1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene(ethyl)azanium;ethene is sourced from PubChem (CID 158043587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).