N'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide

C8H16N2 — CID 123489974

IUPACN'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide
SMILESCC/N=C(\C)NC=C(C)C
InChIInChI=1S/C8H16N2/c1-5-9-8(4)10-6-7(2)3/h6H,5H2,1-4H3,(H,9,10)
InChIKeySKZQMQFICPBYPH-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.94
Rot. Bonds2

About N'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide

N'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide (PubChem CID 123489974) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide
PubChem CID123489974
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide
SMILESCC/N=C(\C)NC=C(C)C
InChIInChI=1S/C8H16N2/c1-5-9-8(4)10-6-7(2)3/h6H,5H2,1-4H3,(H,9,10)
InChIKeySKZQMQFICPBYPH-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.94
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-N-(2-methylprop-1-enyl)ethanimidamide?
The IUPAC name of N'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide (CID 123489974) is N'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide.
What is the SMILES notation for N'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide?
The canonical SMILES for N'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide is CC/N=C(\C)NC=C(C)C.
What is the InChIKey of N'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide?
The InChIKey is SKZQMQFICPBYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-9-8(4)10-6-7(2)3/h6H,5H2,1-4H3,(H,9,10).
What are the key properties of N'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide?
N'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methylprop-1-enyl)ethanimidamide is sourced from PubChem (CID 123489974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).