1-cyano-2-ethylguanidine;N'-ethylethanimidamide

C8H18N6 — CID 91060422

IUPAC1-cyano-2-ethylguanidine;N'-ethylethanimidamide
SMILESCC/N=C(\C)N.CC/N=C(\N)NC#N
InChIInChI=1S/C4H8N4.C4H10N2/c1-2-7-4(6)8-3-5;1-3-6-4(2)5/h2H2,1H3,(H3,6,7,8);3H2,1-2H3,(H2,5,6)
InChIKeyYSHIANAALNSRRJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.22
Rot. Bonds2

About 1-cyano-2-ethylguanidine;N'-ethylethanimidamide

1-cyano-2-ethylguanidine;N'-ethylethanimidamide (PubChem CID 91060422) has the molecular formula C8H18N6 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-cyano-2-ethylguanidine;N'-ethylethanimidamide.

Molecular Properties

Compound Name1-cyano-2-ethylguanidine;N'-ethylethanimidamide
PubChem CID91060422
Molecular FormulaC8H18N6
Molecular Weight198.27 g/mol
Exact Mass198.16
IUPAC Name1-cyano-2-ethylguanidine;N'-ethylethanimidamide
SMILESCC/N=C(\C)N.CC/N=C(\N)NC#N
InChIInChI=1S/C4H8N4.C4H10N2/c1-2-7-4(6)8-3-5;1-3-6-4(2)5/h2H2,1H3,(H3,6,7,8);3H2,1-2H3,(H2,5,6)
InChIKeyYSHIANAALNSRRJ-UHFFFAOYSA-N
XLogP-0.22
TPSA112.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-ethylguanidine;N'-ethylethanimidamide?
The IUPAC name of 1-cyano-2-ethylguanidine;N'-ethylethanimidamide (CID 91060422) is 1-cyano-2-ethylguanidine;N'-ethylethanimidamide.
What is the SMILES notation for 1-cyano-2-ethylguanidine;N'-ethylethanimidamide?
The canonical SMILES for 1-cyano-2-ethylguanidine;N'-ethylethanimidamide is CC/N=C(\C)N.CC/N=C(\N)NC#N.
What is the InChIKey of 1-cyano-2-ethylguanidine;N'-ethylethanimidamide?
The InChIKey is YSHIANAALNSRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.C4H10N2/c1-2-7-4(6)8-3-5;1-3-6-4(2)5/h2H2,1H3,(H3,6,7,8);3H2,1-2H3,(H2,5,6).
What are the key properties of 1-cyano-2-ethylguanidine;N'-ethylethanimidamide?
1-cyano-2-ethylguanidine;N'-ethylethanimidamide has a molecular weight of 198.27 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-ethylguanidine;N'-ethylethanimidamide is sourced from PubChem (CID 91060422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).