ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium

C11H23N2+ — CID 123639028

IUPACethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium
SMILESC=C(C)N(C)/C(C(C)C)=[N+](\C)CC
InChIInChI=1S/C11H23N2/c1-8-12(6)11(9(2)3)13(7)10(4)5/h9H,4,8H2,1-3,5-7H3/q+1
InChIKeyLSXDSNNDGITUIL-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.17
Rot. Bonds3

About ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium

ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium (PubChem CID 123639028) has the molecular formula C11H23N2+ and a molecular weight of 183.32 g/mol. Its IUPAC name is ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium.

Molecular Properties

Compound Nameethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium
PubChem CID123639028
Molecular FormulaC11H23N2+
Molecular Weight183.32 g/mol
Exact Mass183.19
IUPAC Nameethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium
SMILESC=C(C)N(C)/C(C(C)C)=[N+](\C)CC
InChIInChI=1S/C11H23N2/c1-8-12(6)11(9(2)3)13(7)10(4)5/h9H,4,8H2,1-3,5-7H3/q+1
InChIKeyLSXDSNNDGITUIL-UHFFFAOYSA-N
XLogP2.17
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium 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

N-ethyl-2-fluoro-N-methyl-N'-prop-1-en-2-ylpropanimidamide
CID 169915803
1,1,2,4-Tetraethylimidazol-1-ium
CID 67303699
N',2-dimethyl-N-prop-1-en-2-ylpropanimidamide
CID 89152922
N-ethenyl-N-methyl-N'-prop-1-en-2-ylpropanimidamide
CID 118612599
(E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide
CID 121313174
1-Butyl-1,2,4-trimethylimidazol-1-ium
CID 122699323
N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide
CID 123338851
N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide
CID 123367208
N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide
CID 123520006
N'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide
CID 130439420
N,N'-bis(ethenyl)-2-methyl-N-propan-2-ylpropanimidamide
CID 134510983
N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide
CID 137495867

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium?
The IUPAC name of ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium (CID 123639028) is ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium.
What is the SMILES notation for ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium?
The canonical SMILES for ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium is C=C(C)N(C)/C(C(C)C)=[N+](\C)CC.
What is the InChIKey of ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium?
The InChIKey is LSXDSNNDGITUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2/c1-8-12(6)11(9(2)3)13(7)10(4)5/h9H,4,8H2,1-3,5-7H3/q+1.
What are the key properties of ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium?
ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium has a molecular weight of 183.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium is sourced from PubChem (CID 123639028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).