(E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide

C12H23N3O2 — CID 143749314

IUPAC(E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide
SMILESCC/C(=C\C(=N\C)C(=O)NC)N(C)CCOC
InChIInChI=1S/C12H23N3O2/c1-6-10(15(4)7-8-17-5)9-11(13-2)12(16)14-3/h9H,6-8H2,1-5H3,(H,14,16)/b10-9+,13-11-
InChIKeySIFYJQWHMCDWQI-LTCRFSFDSA-N
MW241.33 g/mol
LogP0.68
Rot. Bonds7

About (E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide

(E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide (PubChem CID 143749314) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide.

Molecular Properties

Compound Name(E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide
PubChem CID143749314
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide
SMILESCC/C(=C\C(=N\C)C(=O)NC)N(C)CCOC
InChIInChI=1S/C12H23N3O2/c1-6-10(15(4)7-8-17-5)9-11(13-2)12(16)14-3/h9H,6-8H2,1-5H3,(H,14,16)/b10-9+,13-11-
InChIKeySIFYJQWHMCDWQI-LTCRFSFDSA-N
XLogP0.68
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-methoxyethyl)-N-methyl-1-methyliminopent-2-en-3-amine
CID 144867081
(2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine
CID 134406202
(E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide
CID 123551991
1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide
CID 110927292
3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
CID 62230101
N-(2-methoxyethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 62848180
2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide
CID 148721706
2-ethoxy-N-(2-methoxyethyl)-N-methylacetamide
CID 61073231
3-[3-aminopropyl(2-methoxyethyl)amino]-N-methylpropanamide
CID 63287350
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301
N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide
CID 142151039
2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate
CID 167089831

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide?
The IUPAC name of (E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide (CID 143749314) is (E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide.
What is the SMILES notation for (E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide?
The canonical SMILES for (E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide is CC/C(=C\C(=N\C)C(=O)NC)N(C)CCOC.
What is the InChIKey of (E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide?
The InChIKey is SIFYJQWHMCDWQI-LTCRFSFDSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-6-10(15(4)7-8-17-5)9-11(13-2)12(16)14-3/h9H,6-8H2,1-5H3,(H,14,16)/b10-9+,13-11-.
What are the key properties of (E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide?
(E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide has a molecular weight of 241.33 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide is sourced from PubChem (CID 143749314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).