(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane

C11H22N4 — CID 142462160

IUPAC(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane
SMILESC=N/C(C)=C(/N=C/C)C(\N)=N\C.CCC
InChIInChI=1S/C8H14N4.C3H8/c1-5-12-7(6(2)10-3)8(9)11-4;1-3-2/h5H,3H2,1-2,4H3,(H2,9,11);3H2,1-2H3/b7-6+,12-5+;
InChIKeyRPDHCSXXERTRTA-ODOMZQCFSA-N
MW210.32 g/mol
LogP2.41
Rot. Bonds3

About (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane

(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane (PubChem CID 142462160) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane.

Molecular Properties

Compound Name(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane
PubChem CID142462160
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane
SMILESC=N/C(C)=C(/N=C/C)C(\N)=N\C.CCC
InChIInChI=1S/C8H14N4.C3H8/c1-5-12-7(6(2)10-3)8(9)11-4;1-3-2/h5H,3H2,1-2,4H3,(H2,9,11);3H2,1-2H3/b7-6+,12-5+;
InChIKeyRPDHCSXXERTRTA-ODOMZQCFSA-N
XLogP2.41
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane?
The IUPAC name of (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane (CID 142462160) is (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane.
What is the SMILES notation for (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane?
The canonical SMILES for (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane is C=N/C(C)=C(/N=C/C)C(\N)=N\C.CCC.
What is the InChIKey of (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane?
The InChIKey is RPDHCSXXERTRTA-ODOMZQCFSA-N. The full InChI is InChI=1S/C8H14N4.C3H8/c1-5-12-7(6(2)10-3)8(9)11-4;1-3-2/h5H,3H2,1-2,4H3,(H2,9,11);3H2,1-2H3/b7-6+,12-5+;.
What are the key properties of (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane?
(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane has a molecular weight of 210.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane is sourced from PubChem (CID 142462160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).