N-(N'-methylcarbamimidoyl)ethanimidamide

C4H10N4 — CID 176526831

IUPACN-(N'-methylcarbamimidoyl)ethanimidamide
SMILES[H]/N=C(\C)N/C(N)=N/C
InChIInChI=1S/C4H10N4/c1-3(5)8-4(6)7-2/h1-2H3,(H4,5,6,7,8)
InChIKeyMDOFYEDZYJSWRS-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.48
Rot. Bonds

About N-(N'-methylcarbamimidoyl)ethanimidamide

N-(N'-methylcarbamimidoyl)ethanimidamide (PubChem CID 176526831) has the molecular formula C4H10N4 and a molecular weight of 114.15 g/mol. Its IUPAC name is N-(N'-methylcarbamimidoyl)ethanimidamide.

Molecular Properties

Compound NameN-(N'-methylcarbamimidoyl)ethanimidamide
PubChem CID176526831
Molecular FormulaC4H10N4
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC NameN-(N'-methylcarbamimidoyl)ethanimidamide
SMILES[H]/N=C(\C)N/C(N)=N/C
InChIInChI=1S/C4H10N4/c1-3(5)8-4(6)7-2/h1-2H3,(H4,5,6,7,8)
InChIKeyMDOFYEDZYJSWRS-UHFFFAOYSA-N
XLogP-0.48
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
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

1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide
CID 176533594
1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride
CID 176533244
N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride
CID 176523223
1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine
CID 160881255
N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide
CID 176531946
N-[N'-[2-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 176523352
N-(N'-ethylcarbamimidoyl)ethanimidamide;triphenylphosphanium;bromide
CID 176542611
N-[N'-[2-deuterio-2-(4-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 176523319
N-[N'-[1-deuterio-2-(3-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 176523419
N-[N'-[2-(2,3,4,5-tetradeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 176523370
N-[N'-[1,2-dideuterio-2-(2,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 176523327

Frequently Asked Questions

What is the IUPAC name of N-(N'-methylcarbamimidoyl)ethanimidamide?
The IUPAC name of N-(N'-methylcarbamimidoyl)ethanimidamide (CID 176526831) is N-(N'-methylcarbamimidoyl)ethanimidamide.
What is the SMILES notation for N-(N'-methylcarbamimidoyl)ethanimidamide?
The canonical SMILES for N-(N'-methylcarbamimidoyl)ethanimidamide is [H]/N=C(\C)N/C(N)=N/C.
What is the InChIKey of N-(N'-methylcarbamimidoyl)ethanimidamide?
The InChIKey is MDOFYEDZYJSWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4/c1-3(5)8-4(6)7-2/h1-2H3,(H4,5,6,7,8).
What are the key properties of N-(N'-methylcarbamimidoyl)ethanimidamide?
N-(N'-methylcarbamimidoyl)ethanimidamide has a molecular weight of 114.15 g/mol, XLogP of -0.48, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-methylcarbamimidoyl)ethanimidamide is sourced from PubChem (CID 176526831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).