N'-methyl-N-(2-methyliminoethylidene)methanimidamide

C5H9N3 — CID 88878623

IUPACN'-methyl-N-(2-methyliminoethylidene)methanimidamide
SMILESC/N=C/C=N/C=N/C
InChIInChI=1S/C5H9N3/c1-6-3-4-8-5-7-2/h3-5H,1-2H3/b6-3+,7-5+,8-4+
InChIKeyJCIBXMOBCZMRRH-OWQDHPNQSA-N
MW111.15 g/mol
LogP0.42
Rot. Bonds2

About N'-methyl-N-(2-methyliminoethylidene)methanimidamide

N'-methyl-N-(2-methyliminoethylidene)methanimidamide (PubChem CID 88878623) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N'-methyl-N-(2-methyliminoethylidene)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-methyliminoethylidene)methanimidamide
PubChem CID88878623
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN'-methyl-N-(2-methyliminoethylidene)methanimidamide
SMILESC/N=C/C=N/C=N/C
InChIInChI=1S/C5H9N3/c1-6-3-4-8-5-7-2/h3-5H,1-2H3/b6-3+,7-5+,8-4+
InChIKeyJCIBXMOBCZMRRH-OWQDHPNQSA-N
XLogP0.42
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.42
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'}

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Related Compounds

N,N'-dimethylethane-1,2-diimine
CID 419476
Methyl 4h imidazole
CID 19389518
N'-(2-fluoroethyl)-N-methylideneethanimidamide
CID 155020905
1-(2-Fluoroethylidene)-2-methylguanidine
CID 173820622
N-ethylidene-N'-methylcarbamimidoyl fluoride
CID 174034972
3,4,6-Triazaocta-2,4,6-triene
CID 129790808
Bis(ethylimino)ethylamine
CID 129802213
N-methylimidazolimine
CID 153819490
(E)-N-[1-[(E)-ethylideneamino]ethyl]ethanimine
CID 10986183
N,N'-diethylethane-1,2-diimine
CID 12308394
N'-methyl-N-methylideneethanimidamide
CID 18718054
N-ethylidene-N'-methylmethanimidamide
CID 18734704

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methyliminoethylidene)methanimidamide?
The IUPAC name of N'-methyl-N-(2-methyliminoethylidene)methanimidamide (CID 88878623) is N'-methyl-N-(2-methyliminoethylidene)methanimidamide.
What is the SMILES notation for N'-methyl-N-(2-methyliminoethylidene)methanimidamide?
The canonical SMILES for N'-methyl-N-(2-methyliminoethylidene)methanimidamide is C/N=C/C=N/C=N/C.
What is the InChIKey of N'-methyl-N-(2-methyliminoethylidene)methanimidamide?
The InChIKey is JCIBXMOBCZMRRH-OWQDHPNQSA-N. The full InChI is InChI=1S/C5H9N3/c1-6-3-4-8-5-7-2/h3-5H,1-2H3/b6-3+,7-5+,8-4+.
What are the key properties of N'-methyl-N-(2-methyliminoethylidene)methanimidamide?
N'-methyl-N-(2-methyliminoethylidene)methanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methyliminoethylidene)methanimidamide is sourced from PubChem (CID 88878623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).