(Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide

C11H20N4 — CID 129110365

IUPAC(Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide
SMILESC=C(N)NC(=N\C)/C(=C\C)C(=C)NCC
InChIInChI=1S/C11H20N4/c1-6-10(8(3)14-7-2)11(13-5)15-9(4)12/h6,14H,3-4,7,12H2,1-2,5H3,(H,13,15)/b10-6-
InChIKeySEARUUUCYFATPY-POHAHGRESA-N
MW208.31 g/mol
LogP1.10
Rot. Bonds5

About (Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide

(Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide (PubChem CID 129110365) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide
PubChem CID129110365
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide
SMILESC=C(N)NC(=N\C)/C(=C\C)C(=C)NCC
InChIInChI=1S/C11H20N4/c1-6-10(8(3)14-7-2)11(13-5)15-9(4)12/h6,14H,3-4,7,12H2,1-2,5H3,(H,13,15)/b10-6-
InChIKeySEARUUUCYFATPY-POHAHGRESA-N
XLogP1.10
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide?
The IUPAC name of (Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide (CID 129110365) is (Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide.
What is the SMILES notation for (Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide?
The canonical SMILES for (Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide is C=C(N)NC(=N\C)/C(=C\C)C(=C)NCC.
What is the InChIKey of (Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide?
The InChIKey is SEARUUUCYFATPY-POHAHGRESA-N. The full InChI is InChI=1S/C11H20N4/c1-6-10(8(3)14-7-2)11(13-5)15-9(4)12/h6,14H,3-4,7,12H2,1-2,5H3,(H,13,15)/b10-6-.
What are the key properties of (Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide?
(Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide has a molecular weight of 208.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-aminoethenyl)-2-[1-(ethylamino)ethenyl]-N'-methylbut-2-enimidamide is sourced from PubChem (CID 129110365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).