(E)-N-ethyl-N',2-dimethylbut-2-enimidamide

C8H16N2 — CID 118973189

IUPAC(E)-N-ethyl-N',2-dimethylbut-2-enimidamide
SMILESC/C=C(C)/C(=N/C)NCC
InChIInChI=1S/C8H16N2/c1-5-7(3)8(9-4)10-6-2/h5H,6H2,1-4H3,(H,9,10)/b7-5+
InChIKeySAQYVZCZLODHID-FNORWQNLSA-N
MW140.23 g/mol
LogP1.59
Rot. Bonds2

About (E)-N-ethyl-N',2-dimethylbut-2-enimidamide

(E)-N-ethyl-N',2-dimethylbut-2-enimidamide (PubChem CID 118973189) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-N-ethyl-N',2-dimethylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-N-ethyl-N',2-dimethylbut-2-enimidamide
PubChem CID118973189
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(E)-N-ethyl-N',2-dimethylbut-2-enimidamide
SMILESC/C=C(C)/C(=N/C)NCC
InChIInChI=1S/C8H16N2/c1-5-7(3)8(9-4)10-6-2/h5H,6H2,1-4H3,(H,9,10)/b7-5+
InChIKeySAQYVZCZLODHID-FNORWQNLSA-N
XLogP1.59
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 ≤ 51.59
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'}

Analyze (E)-N-ethyl-N',2-dimethylbut-2-enimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N',2-dimethylbut-2-enimidamide?
The IUPAC name of (E)-N-ethyl-N',2-dimethylbut-2-enimidamide (CID 118973189) is (E)-N-ethyl-N',2-dimethylbut-2-enimidamide.
What is the SMILES notation for (E)-N-ethyl-N',2-dimethylbut-2-enimidamide?
The canonical SMILES for (E)-N-ethyl-N',2-dimethylbut-2-enimidamide is C/C=C(C)/C(=N/C)NCC.
What is the InChIKey of (E)-N-ethyl-N',2-dimethylbut-2-enimidamide?
The InChIKey is SAQYVZCZLODHID-FNORWQNLSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-7(3)8(9-4)10-6-2/h5H,6H2,1-4H3,(H,9,10)/b7-5+.
What are the key properties of (E)-N-ethyl-N',2-dimethylbut-2-enimidamide?
(E)-N-ethyl-N',2-dimethylbut-2-enimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N',2-dimethylbut-2-enimidamide is sourced from PubChem (CID 118973189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).