N'-methyl-2-(methylideneamino)prop-2-enimidamide

C5H9N3 — CID 142901244

IUPACN'-methyl-2-(methylideneamino)prop-2-enimidamide
SMILESC=NC(=C)/C(N)=N/C
InChIInChI=1S/C5H9N3/c1-4(7-2)5(6)8-3/h1-2H2,3H3,(H2,6,8)
InChIKeyLEKXZBQKSCUODK-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.19
Rot. Bonds2

About N'-methyl-2-(methylideneamino)prop-2-enimidamide

N'-methyl-2-(methylideneamino)prop-2-enimidamide (PubChem CID 142901244) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N'-methyl-2-(methylideneamino)prop-2-enimidamide.

Molecular Properties

Compound NameN'-methyl-2-(methylideneamino)prop-2-enimidamide
PubChem CID142901244
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN'-methyl-2-(methylideneamino)prop-2-enimidamide
SMILESC=NC(=C)/C(N)=N/C
InChIInChI=1S/C5H9N3/c1-4(7-2)5(6)8-3/h1-2H2,3H3,(H2,6,8)
InChIKeyLEKXZBQKSCUODK-UHFFFAOYSA-N
XLogP0.19
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(E)-2,3-diamino-N'-methylprop-2-enimidamide
CID 88913465
2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide
CID 89378957
2-(Propylideneamino)prop-2-enimidamide
CID 123438422
2-diazenyl-N'-methylprop-2-enimidamide
CID 129147718
(E)-2-amino-N'-methanimidoylbut-2-enimidamide
CID 129157149
2,3,3-triamino-N'-methylprop-2-enimidamide
CID 129274517
(E)-2-amino-N'-methylbut-2-enimidamide
CID 139378535
2-amino-N'-ethyl-N,N-dimethylprop-2-enimidamide
CID 140299110
2-amino-N'-methylprop-2-enimidamide
CID 142142283
2-(Methylideneamino)prop-2-enimidamide
CID 142901245
[1-Amino-2-(methylideneamino)prop-2-enylidene]azanium
CID 143113029
2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide
CID 143725662

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(methylideneamino)prop-2-enimidamide?
The IUPAC name of N'-methyl-2-(methylideneamino)prop-2-enimidamide (CID 142901244) is N'-methyl-2-(methylideneamino)prop-2-enimidamide.
What is the SMILES notation for N'-methyl-2-(methylideneamino)prop-2-enimidamide?
The canonical SMILES for N'-methyl-2-(methylideneamino)prop-2-enimidamide is C=NC(=C)/C(N)=N/C.
What is the InChIKey of N'-methyl-2-(methylideneamino)prop-2-enimidamide?
The InChIKey is LEKXZBQKSCUODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-4(7-2)5(6)8-3/h1-2H2,3H3,(H2,6,8).
What are the key properties of N'-methyl-2-(methylideneamino)prop-2-enimidamide?
N'-methyl-2-(methylideneamino)prop-2-enimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(methylideneamino)prop-2-enimidamide is sourced from PubChem (CID 142901244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).