(Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide

C11H19N3O — CID 166980873

IUPAC(Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide
SMILESC=N/C=C(\N=C\C)C(=O)NC(CC)CC
InChIInChI=1S/C11H19N3O/c1-5-9(6-2)14-11(15)10(8-12-4)13-7-3/h7-9H,4-6H2,1-3H3,(H,14,15)/b10-8-,13-7+
InChIKeyQTLYISVVIOIYIB-SNJAUTMDSA-N
MW209.29 g/mol
LogP1.92
Rot. Bonds6

About (Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide

(Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide (PubChem CID 166980873) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide
PubChem CID166980873
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide
SMILESC=N/C=C(\N=C\C)C(=O)NC(CC)CC
InChIInChI=1S/C11H19N3O/c1-5-9(6-2)14-11(15)10(8-12-4)13-7-3/h7-9H,4-6H2,1-3H3,(H,14,15)/b10-8-,13-7+
InChIKeyQTLYISVVIOIYIB-SNJAUTMDSA-N
XLogP1.92
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide?
The IUPAC name of (Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide (CID 166980873) is (Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide?
The canonical SMILES for (Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide is C=N/C=C(\N=C\C)C(=O)NC(CC)CC.
What is the InChIKey of (Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide?
The InChIKey is QTLYISVVIOIYIB-SNJAUTMDSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-9(6-2)14-11(15)10(8-12-4)13-7-3/h7-9H,4-6H2,1-3H3,(H,14,15)/b10-8-,13-7+.
What are the key properties of (Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide?
(Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide has a molecular weight of 209.29 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide is sourced from PubChem (CID 166980873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).