N-ethenyl-N-propylpropanimidamide

C8H16N2 — CID 90299150

IUPACN-ethenyl-N-propylpropanimidamide
SMILES[H]/N=C(\CC)N(C=C)CCC
InChIInChI=1S/C8H16N2/c1-4-7-10(6-3)8(9)5-2/h6,9H,3-5,7H2,1-2H3/b9-8+
InChIKeyIMOYKHHNHZJJGO-CMDGGOBGSA-N
MW140.23 g/mol
LogP2.23
Rot. Bonds4

About N-ethenyl-N-propylpropanimidamide

N-ethenyl-N-propylpropanimidamide (PubChem CID 90299150) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-ethenyl-N-propylpropanimidamide.

Molecular Properties

Compound NameN-ethenyl-N-propylpropanimidamide
PubChem CID90299150
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-ethenyl-N-propylpropanimidamide
SMILES[H]/N=C(\CC)N(C=C)CCC
InChIInChI=1S/C8H16N2/c1-4-7-10(6-3)8(9)5-2/h6,9H,3-5,7H2,1-2H3/b9-8+
InChIKeyIMOYKHHNHZJJGO-CMDGGOBGSA-N
XLogP2.23
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.23
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-propylpropanimidamide?
The IUPAC name of N-ethenyl-N-propylpropanimidamide (CID 90299150) is N-ethenyl-N-propylpropanimidamide.
What is the SMILES notation for N-ethenyl-N-propylpropanimidamide?
The canonical SMILES for N-ethenyl-N-propylpropanimidamide is [H]/N=C(\CC)N(C=C)CCC.
What is the InChIKey of N-ethenyl-N-propylpropanimidamide?
The InChIKey is IMOYKHHNHZJJGO-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-7-10(6-3)8(9)5-2/h6,9H,3-5,7H2,1-2H3/b9-8+.
What are the key properties of N-ethenyl-N-propylpropanimidamide?
N-ethenyl-N-propylpropanimidamide has a molecular weight of 140.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-propylpropanimidamide is sourced from PubChem (CID 90299150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).