[1-amino-2-(methylideneamino)prop-2-enylidene]azanium

C4H8N3+ — CID 143113029

IUPAC[1-amino-2-(methylideneamino)prop-2-enylidene]azanium
SMILESC=NC(=C)C(N)=[NH2+]
InChIInChI=1S/C4H7N3/c1-3(7-2)4(5)6/h1-2H2,(H3,5,6)/p+1
InChIKeyPHICHCMXUWYYLH-UHFFFAOYSA-O
MW98.13 g/mol
LogP-1.68
Rot. Bonds2

About [1-amino-2-(methylideneamino)prop-2-enylidene]azanium

[1-amino-2-(methylideneamino)prop-2-enylidene]azanium (PubChem CID 143113029) has the molecular formula C4H8N3+ and a molecular weight of 98.13 g/mol. Its IUPAC name is [1-amino-2-(methylideneamino)prop-2-enylidene]azanium.

Molecular Properties

Compound Name[1-amino-2-(methylideneamino)prop-2-enylidene]azanium
PubChem CID143113029
Molecular FormulaC4H8N3+
Molecular Weight98.13 g/mol
Exact Mass98.07
IUPAC Name[1-amino-2-(methylideneamino)prop-2-enylidene]azanium
SMILESC=NC(=C)C(N)=[NH2+]
InChIInChI=1S/C4H7N3/c1-3(7-2)4(5)6/h1-2H2,(H3,5,6)/p+1
InChIKeyPHICHCMXUWYYLH-UHFFFAOYSA-O
XLogP-1.68
TPSA63.97 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.13
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Propylideneamino)prop-2-enimidamide
CID 123438422
(E)-2-amino-N'-methanimidoylbut-2-enimidamide
CID 129157149
2-amino-N'-methylprop-2-enimidamide
CID 142142283
N'-methyl-2-(methylideneamino)prop-2-enimidamide
CID 142901244
2-(Methylideneamino)prop-2-enimidamide
CID 142901245
(Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide
CID 145294758
5-Methylideneimidazol-4-amine;molecular hydrogen
CID 155730363
(2Z)-2-(methylideneamino)penta-2,4-dienimidamide
CID 168180947
2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide
CID 173477624
5-Methylideneimidazol-4-amine
CID 155730364

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(methylideneamino)prop-2-enylidene]azanium?
The IUPAC name of [1-amino-2-(methylideneamino)prop-2-enylidene]azanium (CID 143113029) is [1-amino-2-(methylideneamino)prop-2-enylidene]azanium.
What is the SMILES notation for [1-amino-2-(methylideneamino)prop-2-enylidene]azanium?
The canonical SMILES for [1-amino-2-(methylideneamino)prop-2-enylidene]azanium is C=NC(=C)C(N)=[NH2+].
What is the InChIKey of [1-amino-2-(methylideneamino)prop-2-enylidene]azanium?
The InChIKey is PHICHCMXUWYYLH-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7N3/c1-3(7-2)4(5)6/h1-2H2,(H3,5,6)/p+1.
What are the key properties of [1-amino-2-(methylideneamino)prop-2-enylidene]azanium?
[1-amino-2-(methylideneamino)prop-2-enylidene]azanium has a molecular weight of 98.13 g/mol, XLogP of -1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(methylideneamino)prop-2-enylidene]azanium is sourced from PubChem (CID 143113029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).