ethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium

C8H19N2+ — CID 90740925

IUPACethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium
SMILESCCN(C)C/C=[N+](\C)CC
InChIInChI=1S/C8H19N2/c1-5-9(3)7-8-10(4)6-2/h7H,5-6,8H2,1-4H3/q+1/b9-7+
InChIKeyXUKLPKHBLZZRSZ-VQHVLOKHSA-N
MW143.25 g/mol
LogP0.67
Rot. Bonds4

About ethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium

ethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium (PubChem CID 90740925) has the molecular formula C8H19N2+ and a molecular weight of 143.25 g/mol. Its IUPAC name is ethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium.

Molecular Properties

Compound Nameethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium
PubChem CID90740925
Molecular FormulaC8H19N2+
Molecular Weight143.25 g/mol
Exact Mass143.15
IUPAC Nameethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium
SMILESCCN(C)C/C=[N+](\C)CC
InChIInChI=1S/C8H19N2/c1-5-9(3)7-8-10(4)6-2/h7H,5-6,8H2,1-4H3/q+1/b9-7+
InChIKeyXUKLPKHBLZZRSZ-VQHVLOKHSA-N
XLogP0.67
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze ethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium 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

Diethyl(ethylidene)azanium
CID 13237612
Ethylidene-di(propan-2-yl)azanium
CID 87724782
2-(ethylideneamino)-N,N-bis[2-(ethylideneamino)ethyl]ethanamine
CID 138976500
N,N'-dipropylethane-1,2-diimine
CID 12091043
Ethyl-ethylidene-propylazanium
CID 18732252
(2E)-2-[(dimethylamino)methylimino]-N,N-dimethylethanamine
CID 20673994
N,N-dimethyl-2-methyliminoethanamine
CID 22965863
N,N-Dipropylpropan-1-iminium
CID 57895056
3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine
CID 59838970
2-[(dimethylamino)methylimino]-N,N-dimethylethanamine
CID 73695042
2-ethylimino-N,N-dimethylethanamine
CID 88957050
N-ethyl-N-methyl-4-methyliminobutan-1-amine
CID 89144882

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium?
The IUPAC name of ethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium (CID 90740925) is ethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium.
What is the SMILES notation for ethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium?
The canonical SMILES for ethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium is CCN(C)C/C=[N+](\C)CC.
What is the InChIKey of ethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium?
The InChIKey is XUKLPKHBLZZRSZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H19N2/c1-5-9(3)7-8-10(4)6-2/h7H,5-6,8H2,1-4H3/q+1/b9-7+.
What are the key properties of ethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium?
ethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium has a molecular weight of 143.25 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-[ethyl(methyl)amino]ethylidene]-methylazanium is sourced from PubChem (CID 90740925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).