2,3-diaminoprop-2-enylidene(methyl)azanium

C4H10N3+ — CID 149116825

IUPAC2,3-diaminoprop-2-enylidene(methyl)azanium
SMILESC/[NH+]=C/C(N)=CN
InChIInChI=1S/C4H9N3/c1-7-3-4(6)2-5/h2-3H,5-6H2,1H3/p+1/b4-2?,7-3+
InChIKeyQCSOQIDNIVAQTC-WHZWGVERSA-O
MW100.14 g/mol
LogP-2.47
Rot. Bonds1

About 2,3-diaminoprop-2-enylidene(methyl)azanium

2,3-diaminoprop-2-enylidene(methyl)azanium (PubChem CID 149116825) has the molecular formula C4H10N3+ and a molecular weight of 100.14 g/mol. Its IUPAC name is 2,3-diaminoprop-2-enylidene(methyl)azanium.

Molecular Properties

Compound Name2,3-diaminoprop-2-enylidene(methyl)azanium
PubChem CID149116825
Molecular FormulaC4H10N3+
Molecular Weight100.14 g/mol
Exact Mass100.09
IUPAC Name2,3-diaminoprop-2-enylidene(methyl)azanium
SMILESC/[NH+]=C/C(N)=CN
InChIInChI=1S/C4H9N3/c1-7-3-4(6)2-5/h2-3H,5-6H2,1H3/p+1/b4-2?,7-3+
InChIKeyQCSOQIDNIVAQTC-WHZWGVERSA-O
XLogP-2.47
TPSA66.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 5-2.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diaminoprop-2-enylidene(methyl)azanium?
The IUPAC name of 2,3-diaminoprop-2-enylidene(methyl)azanium (CID 149116825) is 2,3-diaminoprop-2-enylidene(methyl)azanium.
What is the SMILES notation for 2,3-diaminoprop-2-enylidene(methyl)azanium?
The canonical SMILES for 2,3-diaminoprop-2-enylidene(methyl)azanium is C/[NH+]=C/C(N)=CN.
What is the InChIKey of 2,3-diaminoprop-2-enylidene(methyl)azanium?
The InChIKey is QCSOQIDNIVAQTC-WHZWGVERSA-O. The full InChI is InChI=1S/C4H9N3/c1-7-3-4(6)2-5/h2-3H,5-6H2,1H3/p+1/b4-2?,7-3+.
What are the key properties of 2,3-diaminoprop-2-enylidene(methyl)azanium?
2,3-diaminoprop-2-enylidene(methyl)azanium has a molecular weight of 100.14 g/mol, XLogP of -2.47, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminoprop-2-enylidene(methyl)azanium is sourced from PubChem (CID 149116825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).