1-cyano-N'-ethyl-N-methylidenemethanimidamide

C5H7N3 — CID 155332325

IUPAC1-cyano-N'-ethyl-N-methylidenemethanimidamide
SMILESC=N/C(C#N)=N/CC
InChIInChI=1S/C5H7N3/c1-3-8-5(4-6)7-2/h2-3H2,1H3/b8-5+
InChIKeyWHFZZLMUUCQKLN-VMPITWQZSA-N
MW109.13 g/mol
LogP0.63
Rot. Bonds1

About 1-cyano-N'-ethyl-N-methylidenemethanimidamide

1-cyano-N'-ethyl-N-methylidenemethanimidamide (PubChem CID 155332325) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 1-cyano-N'-ethyl-N-methylidenemethanimidamide.

Molecular Properties

Compound Name1-cyano-N'-ethyl-N-methylidenemethanimidamide
PubChem CID155332325
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name1-cyano-N'-ethyl-N-methylidenemethanimidamide
SMILESC=N/C(C#N)=N/CC
InChIInChI=1S/C5H7N3/c1-3-8-5(4-6)7-2/h2-3H2,1H3/b8-5+
InChIKeyWHFZZLMUUCQKLN-VMPITWQZSA-N
XLogP0.63
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.63
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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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N'-ethyl-N-methylidenemethanimidamide?
The IUPAC name of 1-cyano-N'-ethyl-N-methylidenemethanimidamide (CID 155332325) is 1-cyano-N'-ethyl-N-methylidenemethanimidamide.
What is the SMILES notation for 1-cyano-N'-ethyl-N-methylidenemethanimidamide?
The canonical SMILES for 1-cyano-N'-ethyl-N-methylidenemethanimidamide is C=N/C(C#N)=N/CC.
What is the InChIKey of 1-cyano-N'-ethyl-N-methylidenemethanimidamide?
The InChIKey is WHFZZLMUUCQKLN-VMPITWQZSA-N. The full InChI is InChI=1S/C5H7N3/c1-3-8-5(4-6)7-2/h2-3H2,1H3/b8-5+.
What are the key properties of 1-cyano-N'-ethyl-N-methylidenemethanimidamide?
1-cyano-N'-ethyl-N-methylidenemethanimidamide has a molecular weight of 109.13 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N'-ethyl-N-methylidenemethanimidamide is sourced from PubChem (CID 155332325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).