N-cyano-N'-ethylmethanimidamide

C4H7N3 — CID 21254806

IUPACN-cyano-N'-ethylmethanimidamide
SMILESCC/N=C/NC#N
InChIInChI=1S/C4H7N3/c1-2-6-4-7-3-5/h4H,2H2,1H3,(H,6,7)
InChIKeyLDXOCHMLWSGWBT-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.11
Rot. Bonds2

About N-cyano-N'-ethylmethanimidamide

N-cyano-N'-ethylmethanimidamide (PubChem CID 21254806) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is N-cyano-N'-ethylmethanimidamide.

Molecular Properties

Compound NameN-cyano-N'-ethylmethanimidamide
PubChem CID21254806
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC NameN-cyano-N'-ethylmethanimidamide
SMILESCC/N=C/NC#N
InChIInChI=1S/C4H7N3/c1-2-6-4-7-3-5/h4H,2H2,1H3,(H,6,7)
InChIKeyLDXOCHMLWSGWBT-UHFFFAOYSA-N
XLogP0.11
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-cyano-N'-ethylmethanimidamide?
The IUPAC name of N-cyano-N'-ethylmethanimidamide (CID 21254806) is N-cyano-N'-ethylmethanimidamide.
What is the SMILES notation for N-cyano-N'-ethylmethanimidamide?
The canonical SMILES for N-cyano-N'-ethylmethanimidamide is CC/N=C/NC#N.
What is the InChIKey of N-cyano-N'-ethylmethanimidamide?
The InChIKey is LDXOCHMLWSGWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-2-6-4-7-3-5/h4H,2H2,1H3,(H,6,7).
What are the key properties of N-cyano-N'-ethylmethanimidamide?
N-cyano-N'-ethylmethanimidamide has a molecular weight of 97.12 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-ethylmethanimidamide is sourced from PubChem (CID 21254806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).