N-ethenyl-N'-ethylmethanimidamide

C5H10N2 — CID 91351527

IUPACN-ethenyl-N'-ethylmethanimidamide
SMILESC=CN/C=N/CC
InChIInChI=1S/C5H10N2/c1-3-6-5-7-4-2/h3,5H,1,4H2,2H3,(H,6,7)
InChIKeyBBWGRAJHKBOHBU-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.77
Rot. Bonds3

About N-ethenyl-N'-ethylmethanimidamide

N-ethenyl-N'-ethylmethanimidamide (PubChem CID 91351527) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N-ethenyl-N'-ethylmethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-ethylmethanimidamide
PubChem CID91351527
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN-ethenyl-N'-ethylmethanimidamide
SMILESC=CN/C=N/CC
InChIInChI=1S/C5H10N2/c1-3-6-5-7-4-2/h3,5H,1,4H2,2H3,(H,6,7)
InChIKeyBBWGRAJHKBOHBU-UHFFFAOYSA-N
XLogP0.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.77
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-ethylmethanimidamide?
The IUPAC name of N-ethenyl-N'-ethylmethanimidamide (CID 91351527) is N-ethenyl-N'-ethylmethanimidamide.
What is the SMILES notation for N-ethenyl-N'-ethylmethanimidamide?
The canonical SMILES for N-ethenyl-N'-ethylmethanimidamide is C=CN/C=N/CC.
What is the InChIKey of N-ethenyl-N'-ethylmethanimidamide?
The InChIKey is BBWGRAJHKBOHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-3-6-5-7-4-2/h3,5H,1,4H2,2H3,(H,6,7).
What are the key properties of N-ethenyl-N'-ethylmethanimidamide?
N-ethenyl-N'-ethylmethanimidamide has a molecular weight of 98.15 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-ethylmethanimidamide is sourced from PubChem (CID 91351527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).