N'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide

C5H9N3 — CID 123509183

IUPACN'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide
SMILESC=C/N=C/N(C)N=C
InChIInChI=1S/C5H9N3/c1-4-7-5-8(3)6-2/h4-5H,1-2H2,3H3/b7-5+
InChIKeyZQSGECPZXAFHLW-FNORWQNLSA-N
MW111.15 g/mol
LogP0.71
Rot. Bonds3

About N'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide

N'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide (PubChem CID 123509183) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide
PubChem CID123509183
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide
SMILESC=C/N=C/N(C)N=C
InChIInChI=1S/C5H9N3/c1-4-7-5-8(3)6-2/h4-5H,1-2H2,3H3/b7-5+
InChIKeyZQSGECPZXAFHLW-FNORWQNLSA-N
XLogP0.71
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N'-methyl-N'-(methylideneamino)ethene-1,2-diamine
CID 154475893
N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide
CID 146212188
N,N-dimethylethenamine;hydron
CID 174680801
(Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine
CID 170021824
buta-1,3-diene;ethane;N-ethenylpropan-1-imine
CID 143326311
N'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide
CID 72520681
buta-1,3-diene;ethane;N-ethenylethanimine
CID 142052316
ethane;ethene;N-ethenylprop-2-en-1-imine
CID 145208086
N'-ethenyl-N-(2-methylprop-2-enylidene)methanimidamide
CID 167289862
N-ethenyl-N,N'-dimethylmethanimidamide;propane
CID 143328046
N-[(ethenylamino)-methylamino]-N'-[ethenyl(methyl)amino]-N-methylmethanimidamide
CID 172985790
N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane
CID 177175992

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide?
The IUPAC name of N'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide (CID 123509183) is N'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide.
What is the SMILES notation for N'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide?
The canonical SMILES for N'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide is C=C/N=C/N(C)N=C.
What is the InChIKey of N'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide?
The InChIKey is ZQSGECPZXAFHLW-FNORWQNLSA-N. The full InChI is InChI=1S/C5H9N3/c1-4-7-5-8(3)6-2/h4-5H,1-2H2,3H3/b7-5+.
What are the key properties of N'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide?
N'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methyl-N-(methylideneamino)methanimidamide is sourced from PubChem (CID 123509183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).