N-ethenyl-N'-methylpropanimidamide

C6H12N2 — CID 91077159

IUPACN-ethenyl-N'-methylpropanimidamide
SMILESC=CN/C(CC)=N/C
InChIInChI=1S/C6H12N2/c1-4-6(7-3)8-5-2/h5H,2,4H2,1,3H3,(H,7,8)
InChIKeyAVKARGMCNZKQAO-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.16
Rot. Bonds2

About N-ethenyl-N'-methylpropanimidamide

N-ethenyl-N'-methylpropanimidamide (PubChem CID 91077159) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-ethenyl-N'-methylpropanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-methylpropanimidamide
PubChem CID91077159
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-ethenyl-N'-methylpropanimidamide
SMILESC=CN/C(CC)=N/C
InChIInChI=1S/C6H12N2/c1-4-6(7-3)8-5-2/h5H,2,4H2,1,3H3,(H,7,8)
InChIKeyAVKARGMCNZKQAO-UHFFFAOYSA-N
XLogP1.16
TPSA24.39 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 ≤ 51.16
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'-methylpropanimidamide?
The IUPAC name of N-ethenyl-N'-methylpropanimidamide (CID 91077159) is N-ethenyl-N'-methylpropanimidamide.
What is the SMILES notation for N-ethenyl-N'-methylpropanimidamide?
The canonical SMILES for N-ethenyl-N'-methylpropanimidamide is C=CN/C(CC)=N/C.
What is the InChIKey of N-ethenyl-N'-methylpropanimidamide?
The InChIKey is AVKARGMCNZKQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-6(7-3)8-5-2/h5H,2,4H2,1,3H3,(H,7,8).
What are the key properties of N-ethenyl-N'-methylpropanimidamide?
N-ethenyl-N'-methylpropanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-methylpropanimidamide is sourced from PubChem (CID 91077159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).