(E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide

C15H26N4O2 — CID 134567539

IUPAC(E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide
SMILESC/N=C(C(/C=C/C(=O)NC)=C/N(C)C=O)\C(C)C(C)NC
InChIInChI=1S/C15H26N4O2/c1-11(12(2)16-3)15(18-5)13(9-19(6)10-20)7-8-14(21)17-4/h7-12,16H,1-6H3,(H,17,21)/b8-7+,13-9+,18-15+
InChIKeyOGAIZIHYJAWHJN-HPUYOMRWSA-N
MW294.40 g/mol
LogP0.58
Rot. Bonds8

About (E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide

(E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide (PubChem CID 134567539) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide.

Molecular Properties

Compound Name(E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide
PubChem CID134567539
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide
SMILESC/N=C(C(/C=C/C(=O)NC)=C/N(C)C=O)\C(C)C(C)NC
InChIInChI=1S/C15H26N4O2/c1-11(12(2)16-3)15(18-5)13(9-19(6)10-20)7-8-14(21)17-4/h7-12,16H,1-6H3,(H,17,21)/b8-7+,13-9+,18-15+
InChIKeyOGAIZIHYJAWHJN-HPUYOMRWSA-N
XLogP0.58
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethylbut-2-enediamide
CID 54344026
(Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide
CID 142157976
4-(methylamino)-4-oxobut-2-enoate
CID 6992861
(E)-N-methyl-4-oxohex-2-enamide
CID 135176145
(2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide
CID 102438921
(2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide
CID 135143266
4-(methylamino)-4-oxobut-2-enoyl chloride
CID 91428826
methane;methyl (Z)-4-(methylamino)-4-oxobut-2-enoate
CID 162090264
(Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide
CID 143719526
(E)-N,5-dimethyl-4-methyliminohex-2-en-3-amine
CID 166983864
N,N-dimethylacetamide;N-methylprop-2-enamide
CID 174991436
N-[dimethyl(oxido)-λ4-sulfanyl]methanesulfonamide;(Z)-4-(methylamino)-4-oxobut-2-enoic acid
CID 91022274

Frequently Asked Questions

What is the IUPAC name of (E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide?
The IUPAC name of (E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide (CID 134567539) is (E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide.
What is the SMILES notation for (E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide?
The canonical SMILES for (E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide is C/N=C(C(/C=C/C(=O)NC)=C/N(C)C=O)\C(C)C(C)NC.
What is the InChIKey of (E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide?
The InChIKey is OGAIZIHYJAWHJN-HPUYOMRWSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(12(2)16-3)15(18-5)13(9-19(6)10-20)7-8-14(21)17-4/h7-12,16H,1-6H3,(H,17,21)/b8-7+,13-9+,18-15+.
What are the key properties of (E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide?
(E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide has a molecular weight of 294.40 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-4-[[formyl(methyl)amino]methylidene]-N,6-dimethyl-7-(methylamino)-5-methyliminooct-2-enamide is sourced from PubChem (CID 134567539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).