(2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide

C11H19N3O — CID 134406798

IUPAC(2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide
SMILESC=N/C(C)=C\C=C\C(=O)NCCN(C)C
InChIInChI=1S/C11H19N3O/c1-10(12-2)6-5-7-11(15)13-8-9-14(3)4/h5-7H,2,8-9H2,1,3-4H3,(H,13,15)/b7-5+,10-6-
InChIKeyOXSJZYHGYMCAKO-ZUVZAJTGSA-N
MW209.29 g/mol
LogP0.82
Rot. Bonds6

About (2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide

(2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide (PubChem CID 134406798) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide
PubChem CID134406798
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide
SMILESC=N/C(C)=C\C=C\C(=O)NCCN(C)C
InChIInChI=1S/C11H19N3O/c1-10(12-2)6-5-7-11(15)13-8-9-14(3)4/h5-7H,2,8-9H2,1,3-4H3,(H,13,15)/b7-5+,10-6-
InChIKeyOXSJZYHGYMCAKO-ZUVZAJTGSA-N
XLogP0.82
TPSA44.70 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 ≤ 50.82
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide (CID 134406798) is (2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide is C=N/C(C)=C\C=C\C(=O)NCCN(C)C.
What is the InChIKey of (2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide?
The InChIKey is OXSJZYHGYMCAKO-ZUVZAJTGSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(12-2)6-5-7-11(15)13-8-9-14(3)4/h5-7H,2,8-9H2,1,3-4H3,(H,13,15)/b7-5+,10-6-.
What are the key properties of (2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide?
(2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide has a molecular weight of 209.29 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[2-(dimethylamino)ethyl]-5-(methylideneamino)hexa-2,4-dienamide is sourced from PubChem (CID 134406798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).