N'-carbamimidoylethanimidamide

C3H8N4 — CID 20603119

IUPACN'-carbamimidoylethanimidamide
SMILES[H]/N=C(N)/N=C(\C)N
InChIInChI=1S/C3H8N4/c1-2(4)7-3(5)6/h1H3,(H5,4,5,6,7)
InChIKeyZYNGLOJLQDOQCR-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.74
Rot. Bonds

About N'-carbamimidoylethanimidamide

N'-carbamimidoylethanimidamide (PubChem CID 20603119) has the molecular formula C3H8N4 and a molecular weight of 100.12 g/mol. Its IUPAC name is N'-carbamimidoylethanimidamide.

Molecular Properties

Compound NameN'-carbamimidoylethanimidamide
PubChem CID20603119
Molecular FormulaC3H8N4
Molecular Weight100.12 g/mol
Exact Mass100.07
IUPAC NameN'-carbamimidoylethanimidamide
SMILES[H]/N=C(N)/N=C(\C)N
InChIInChI=1S/C3H8N4/c1-2(4)7-3(5)6/h1H3,(H5,4,5,6,7)
InChIKeyZYNGLOJLQDOQCR-UHFFFAOYSA-N
XLogP-0.74
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
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

1-butan-2-ylideneguanidine
CID 161053722
N-(1-aminoethylidene)-2-(methylamino)ethanimidamide
CID 122487479
2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
CID 176525900
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176516996
2-carbamimidoyl-1-methoxy-1-methylguanidine
CID 176522466
N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide
CID 161421983
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176525164
2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
CID 176531718
cobalt;ethanimidamide
CID 162055614
(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride
CID 168898427
2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine
CID 176536925
1-methylideneguanidine;hydrate
CID 173023298

Frequently Asked Questions

What is the IUPAC name of N'-carbamimidoylethanimidamide?
The IUPAC name of N'-carbamimidoylethanimidamide (CID 20603119) is N'-carbamimidoylethanimidamide.
What is the SMILES notation for N'-carbamimidoylethanimidamide?
The canonical SMILES for N'-carbamimidoylethanimidamide is [H]/N=C(N)/N=C(\C)N.
What is the InChIKey of N'-carbamimidoylethanimidamide?
The InChIKey is ZYNGLOJLQDOQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4/c1-2(4)7-3(5)6/h1H3,(H5,4,5,6,7).
What are the key properties of N'-carbamimidoylethanimidamide?
N'-carbamimidoylethanimidamide has a molecular weight of 100.12 g/mol, XLogP of -0.74, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoylethanimidamide is sourced from PubChem (CID 20603119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).