N-ethenyl-N',2-dimethylpropanimidamide

C7H14N2 — CID 89040593

IUPACN-ethenyl-N',2-dimethylpropanimidamide
SMILESC=CN/C(=N/C)C(C)C
InChIInChI=1S/C7H14N2/c1-5-9-7(8-4)6(2)3/h5-6H,1H2,2-4H3,(H,8,9)
InChIKeyUTEDUQZRJXIHLS-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.40
Rot. Bonds2

About N-ethenyl-N',2-dimethylpropanimidamide

N-ethenyl-N',2-dimethylpropanimidamide (PubChem CID 89040593) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-ethenyl-N',2-dimethylpropanimidamide.

Molecular Properties

Compound NameN-ethenyl-N',2-dimethylpropanimidamide
PubChem CID89040593
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-ethenyl-N',2-dimethylpropanimidamide
SMILESC=CN/C(=N/C)C(C)C
InChIInChI=1S/C7H14N2/c1-5-9-7(8-4)6(2)3/h5-6H,1H2,2-4H3,(H,8,9)
InChIKeyUTEDUQZRJXIHLS-UHFFFAOYSA-N
XLogP1.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.40
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',2-dimethylpropanimidamide?
The IUPAC name of N-ethenyl-N',2-dimethylpropanimidamide (CID 89040593) is N-ethenyl-N',2-dimethylpropanimidamide.
What is the SMILES notation for N-ethenyl-N',2-dimethylpropanimidamide?
The canonical SMILES for N-ethenyl-N',2-dimethylpropanimidamide is C=CN/C(=N/C)C(C)C.
What is the InChIKey of N-ethenyl-N',2-dimethylpropanimidamide?
The InChIKey is UTEDUQZRJXIHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-9-7(8-4)6(2)3/h5-6H,1H2,2-4H3,(H,8,9).
What are the key properties of N-ethenyl-N',2-dimethylpropanimidamide?
N-ethenyl-N',2-dimethylpropanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N',2-dimethylpropanimidamide is sourced from PubChem (CID 89040593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).