ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium

C11H23N2+ — CID 123564650

IUPACethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
SMILESCCN(C)C(C)=C/C(C)=[N+](\C)CC
InChIInChI=1S/C11H23N2/c1-7-12(5)10(3)9-11(4)13(6)8-2/h9H,7-8H2,1-6H3/q+1
InChIKeyHQCHNRKDJBRGIL-UHFFFAOYSA-N
MW183.32 g/mol
LogP1.97
Rot. Bonds4

About ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium

ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium (PubChem CID 123564650) has the molecular formula C11H23N2+ and a molecular weight of 183.32 g/mol. Its IUPAC name is ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium.

Molecular Properties

Compound Nameethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
PubChem CID123564650
Molecular FormulaC11H23N2+
Molecular Weight183.32 g/mol
Exact Mass183.19
IUPAC Nameethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
SMILESCCN(C)C(C)=C/C(C)=[N+](\C)CC
InChIInChI=1S/C11H23N2/c1-7-12(5)10(3)9-11(4)13(6)8-2/h9H,7-8H2,1-6H3/q+1
InChIKeyHQCHNRKDJBRGIL-UHFFFAOYSA-N
XLogP1.97
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 51.97
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-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-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

(4E)-N-(Propan-2-yl)-4-[(propan-2-yl)imino]pent-2-en-2-amine
CID 71353734
(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 102023638
(Z)-N-propyl-4-propyliminopent-2-en-2-amine
CID 102026407
(Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 88984410
ethyl-[(Z)-5-[ethyl(methyl)amino]-1,7-difluorohept-4-en-3-ylidene]-methylazanium
CID 156677165
[(Z)-5-[ethyl(methyl)amino]-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium
CID 156677170
[(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium
CID 156677182
dimagnesium;hydride;bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 129892958
[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate
CID 134868405
Bis(4-N-methylimino-2-methylamino-2-pentene)bis(ethylamido) zirconium
CID 139130802
manganese(2+);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 162406733

Frequently Asked Questions

What is the IUPAC name of ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium?
The IUPAC name of ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium (CID 123564650) is ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium.
What is the SMILES notation for ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium?
The canonical SMILES for ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium is CCN(C)C(C)=C/C(C)=[N+](\C)CC.
What is the InChIKey of ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium?
The InChIKey is HQCHNRKDJBRGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2/c1-7-12(5)10(3)9-11(4)13(6)8-2/h9H,7-8H2,1-6H3/q+1.
What are the key properties of ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium?
ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium has a molecular weight of 183.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium is sourced from PubChem (CID 123564650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).