(2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide

C13H23N5 — CID 162735269

IUPAC(2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide
SMILESC=CC(/C(=N/C)NC)=C(N)\C(/C=N/C)=C/N(C)C
InChIInChI=1S/C13H23N5/c1-7-11(13(16-3)17-4)12(14)10(8-15-2)9-18(5)6/h7-9H,1,14H2,2-6H3,(H,16,17)/b10-9-,12-11-,15-8+
InChIKeyZCNZUXOQXUFDOY-YJPKBZGZSA-N
MW249.36 g/mol
LogP0.78
Rot. Bonds5

About (2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide

(2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide (PubChem CID 162735269) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is (2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide
PubChem CID162735269
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name(2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide
SMILESC=CC(/C(=N/C)NC)=C(N)\C(/C=N/C)=C/N(C)C
InChIInChI=1S/C13H23N5/c1-7-11(13(16-3)17-4)12(14)10(8-15-2)9-18(5)6/h7-9H,1,14H2,2-6H3,(H,16,17)/b10-9-,12-11-,15-8+
InChIKeyZCNZUXOQXUFDOY-YJPKBZGZSA-N
XLogP0.78
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
CID 123196788
(3E)-N-ethenyl-3-[(Z)-3-(methyliminomethyl)pent-3-en-2-ylidene]pyrrol-2-amine
CID 126663390
(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine
CID 130343762
(3Z)-5-amino-N,N',6-trimethylhepta-3,5-dienimidamide
CID 130372082
(3aE)-N,N-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-amine
CID 134322095
N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine
CID 136593550
N,6-dimethyl-3-methylidene-1H-azepin-2-imine
CID 137092150
(E)-N'-ethenyl-2-methyl-3-(methylamino)-N-[(3E,5E)-2,5,6,7-tetramethylocta-1,3,5,7-tetraen-3-yl]but-2-enimidamide
CID 139469997
(3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine
CID 142308881
(2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide
CID 142471487
(3Z)-N,4-dimethyl-3-propylidene-1H-pyrrol-2-imine;ethane
CID 144116944
ethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine
CID 145119981

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide?
The IUPAC name of (2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide (CID 162735269) is (2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide.
What is the SMILES notation for (2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide?
The canonical SMILES for (2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide is C=CC(/C(=N/C)NC)=C(N)\C(/C=N/C)=C/N(C)C.
What is the InChIKey of (2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide?
The InChIKey is ZCNZUXOQXUFDOY-YJPKBZGZSA-N. The full InChI is InChI=1S/C13H23N5/c1-7-11(13(16-3)17-4)12(14)10(8-15-2)9-18(5)6/h7-9H,1,14H2,2-6H3,(H,16,17)/b10-9-,12-11-,15-8+.
What are the key properties of (2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide?
(2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide has a molecular weight of 249.36 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide is sourced from PubChem (CID 162735269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).