N-ethyl-3-methylbut-2-enimidoyl cyanide

C8H12N2 — CID 572298

IUPACN-ethyl-3-methylbut-2-enimidoyl cyanide
SMILESCC/N=C(\C#N)C=C(C)C
InChIInChI=1S/C8H12N2/c1-4-10-8(6-9)5-7(2)3/h5H,4H2,1-3H3/b10-8-
InChIKeyHDDUESIHOGIZDF-NTMALXAHSA-N
MW136.20 g/mol
LogP1.94
Rot. Bonds2

About N-ethyl-3-methylbut-2-enimidoyl cyanide

N-ethyl-3-methylbut-2-enimidoyl cyanide (PubChem CID 572298) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-ethyl-3-methylbut-2-enimidoyl cyanide.

Molecular Properties

Compound NameN-ethyl-3-methylbut-2-enimidoyl cyanide
PubChem CID572298
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-ethyl-3-methylbut-2-enimidoyl cyanide
SMILESCC/N=C(\C#N)C=C(C)C
InChIInChI=1S/C8H12N2/c1-4-10-8(6-9)5-7(2)3/h5H,4H2,1-3H3/b10-8-
InChIKeyHDDUESIHOGIZDF-NTMALXAHSA-N
XLogP1.94
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-ethyl-3-methylbut-2-enimidoyl cyanide with MolForge

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

Launch Full Analysis

Related Compounds

4-Methyl-2-(3-methylbut-2-enylideneamino)pent-3-enenitrile
CID 589549
4-methyl-N-propan-2-ylpent-3-en-2-imine
CID 12378513
N-(4-methylpent-3-enyl)propan-2-imine
CID 20677101
5,6-Dimethyl-2,3-dihydropyridine-3-carbonitrile
CID 69510804
(E)-N,4-dimethylhex-3-en-2-imine
CID 89965377
N,4-dimethylhex-3-en-2-imine
CID 91494846
N-ethylbut-2-enimidoyl cyanide
CID 91608759
(E)-2-ethenyl-4-methyliminopent-2-enenitrile
CID 117783478
(Z)-2-methylidene-5-methyliminohex-3-enenitrile
CID 117783479
N-ethyl-4-methylpent-3-en-2-imine
CID 122468271
N-(2-methylpropyl)but-2-enimidoyl cyanide
CID 123165582
(Z)-2-methylidene-3-methyliminohex-4-enenitrile
CID 123452029

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylbut-2-enimidoyl cyanide?
The IUPAC name of N-ethyl-3-methylbut-2-enimidoyl cyanide (CID 572298) is N-ethyl-3-methylbut-2-enimidoyl cyanide.
What is the SMILES notation for N-ethyl-3-methylbut-2-enimidoyl cyanide?
The canonical SMILES for N-ethyl-3-methylbut-2-enimidoyl cyanide is CC/N=C(\C#N)C=C(C)C.
What is the InChIKey of N-ethyl-3-methylbut-2-enimidoyl cyanide?
The InChIKey is HDDUESIHOGIZDF-NTMALXAHSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-10-8(6-9)5-7(2)3/h5H,4H2,1-3H3/b10-8-.
What are the key properties of N-ethyl-3-methylbut-2-enimidoyl cyanide?
N-ethyl-3-methylbut-2-enimidoyl cyanide has a molecular weight of 136.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylbut-2-enimidoyl cyanide is sourced from PubChem (CID 572298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).