(E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide

C10H16N2O — CID 134343485

IUPAC(E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide
SMILESC=N/C=C(\C=C(/C)CC)C(=O)NC
InChIInChI=1S/C10H16N2O/c1-5-8(2)6-9(7-11-3)10(13)12-4/h6-7H,3,5H2,1-2,4H3,(H,12,13)/b8-6+,9-7+
InChIKeyJVRSKGNIRIFZRW-CDJQDVQCSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds4

About (E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide

(E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide (PubChem CID 134343485) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide.

Molecular Properties

Compound Name(E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide
PubChem CID134343485
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide
SMILESC=N/C=C(\C=C(/C)CC)C(=O)NC
InChIInChI=1S/C10H16N2O/c1-5-8(2)6-9(7-11-3)10(13)12-4/h6-7H,3,5H2,1-2,4H3,(H,12,13)/b8-6+,9-7+
InChIKeyJVRSKGNIRIFZRW-CDJQDVQCSA-N
XLogP1.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide?
The IUPAC name of (E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide (CID 134343485) is (E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide.
What is the SMILES notation for (E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide?
The canonical SMILES for (E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide is C=N/C=C(\C=C(/C)CC)C(=O)NC.
What is the InChIKey of (E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide?
The InChIKey is JVRSKGNIRIFZRW-CDJQDVQCSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-8(2)6-9(7-11-3)10(13)12-4/h6-7H,3,5H2,1-2,4H3,(H,12,13)/b8-6+,9-7+.
What are the key properties of (E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide?
(E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide has a molecular weight of 180.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide is sourced from PubChem (CID 134343485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).