2-ethyl-N-methylpent-4-en-1-imine

C8H15N — CID 123486283

IUPAC2-ethyl-N-methylpent-4-en-1-imine
SMILESC=CCC(/C=N/C)CC
InChIInChI=1S/C8H15N/c1-4-6-8(5-2)7-9-3/h4,7-8H,1,5-6H2,2-3H3/b9-7+
InChIKeyFMAJSYLIYMGDCY-VQHVLOKHSA-N
MW125.21 g/mol
LogP2.29
Rot. Bonds4

About 2-ethyl-N-methylpent-4-en-1-imine

2-ethyl-N-methylpent-4-en-1-imine (PubChem CID 123486283) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-ethyl-N-methylpent-4-en-1-imine.

Molecular Properties

Compound Name2-ethyl-N-methylpent-4-en-1-imine
PubChem CID123486283
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-ethyl-N-methylpent-4-en-1-imine
SMILESC=CCC(/C=N/C)CC
InChIInChI=1S/C8H15N/c1-4-6-8(5-2)7-9-3/h4,7-8H,1,5-6H2,2-3H3/b9-7+
InChIKeyFMAJSYLIYMGDCY-VQHVLOKHSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-methylpent-4-en-1-imine 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

(1E)-3,3-Dimethyl-N-(2-methylpropyl)pent-4-en-1-imine
CID 13119721
(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
Allyl-(2-methyl-pent-4-enylidene)-amine
CID 13443029
4-Ethyl-3,4-dihydropyridine
CID 14979261
4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
3-Ethyl-3,4-dihydropyridine
CID 14979269
4-Ethyl-3-methyl-3,4-dihydropyridine
CID 54052565
3-Propan-2-ylpent-4-en-1-imine
CID 58352436
3-butan-2-yl-3H-pyrrole
CID 59658271
4-Propyl-3,4-dihydropyridine
CID 68028727
4-methyl-4,5-dihydro-3H-azepine
CID 68099636
N-methylhex-5-en-1-imine
CID 85563179

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methylpent-4-en-1-imine?
The IUPAC name of 2-ethyl-N-methylpent-4-en-1-imine (CID 123486283) is 2-ethyl-N-methylpent-4-en-1-imine.
What is the SMILES notation for 2-ethyl-N-methylpent-4-en-1-imine?
The canonical SMILES for 2-ethyl-N-methylpent-4-en-1-imine is C=CCC(/C=N/C)CC.
What is the InChIKey of 2-ethyl-N-methylpent-4-en-1-imine?
The InChIKey is FMAJSYLIYMGDCY-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-8(5-2)7-9-3/h4,7-8H,1,5-6H2,2-3H3/b9-7+.
What are the key properties of 2-ethyl-N-methylpent-4-en-1-imine?
2-ethyl-N-methylpent-4-en-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methylpent-4-en-1-imine is sourced from PubChem (CID 123486283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).