N'-ethyl-2-methylprop-2-enimidamide

C6H12N2 — CID 123225034

IUPACN'-ethyl-2-methylprop-2-enimidamide
SMILESC=C(C)/C(N)=N/CC
InChIInChI=1S/C6H12N2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3,(H2,7,8)
InChIKeyKOUNJEVIJGGDQF-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.94
Rot. Bonds2

About N'-ethyl-2-methylprop-2-enimidamide

N'-ethyl-2-methylprop-2-enimidamide (PubChem CID 123225034) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N'-ethyl-2-methylprop-2-enimidamide.

Molecular Properties

Compound NameN'-ethyl-2-methylprop-2-enimidamide
PubChem CID123225034
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN'-ethyl-2-methylprop-2-enimidamide
SMILESC=C(C)/C(N)=N/CC
InChIInChI=1S/C6H12N2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3,(H2,7,8)
InChIKeyKOUNJEVIJGGDQF-UHFFFAOYSA-N
XLogP0.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.94
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'-ethyl-2-methylprop-2-enimidamide?
The IUPAC name of N'-ethyl-2-methylprop-2-enimidamide (CID 123225034) is N'-ethyl-2-methylprop-2-enimidamide.
What is the SMILES notation for N'-ethyl-2-methylprop-2-enimidamide?
The canonical SMILES for N'-ethyl-2-methylprop-2-enimidamide is C=C(C)/C(N)=N/CC.
What is the InChIKey of N'-ethyl-2-methylprop-2-enimidamide?
The InChIKey is KOUNJEVIJGGDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3,(H2,7,8).
What are the key properties of N'-ethyl-2-methylprop-2-enimidamide?
N'-ethyl-2-methylprop-2-enimidamide has a molecular weight of 112.18 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-methylprop-2-enimidamide is sourced from PubChem (CID 123225034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).