3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione

C15H23N3O2 — CID 156551549

IUPAC3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione
SMILESC=N/C(=C\C=C(/C)NC1CCC(=O)NC1=O)C(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-10(6-8-12(16-5)15(2,3)4)17-11-7-9-13(19)18-14(11)20/h6,8,11,17H,5,7,9H2,1-4H3,(H,18,19,20)/b10-6+,12-8-
InChIKeyFULCMDLUTDTTFD-XCPJPICESA-N
MW277.37 g/mol
LogP1.92
Rot. Bonds4

About 3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione

3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione (PubChem CID 156551549) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione
PubChem CID156551549
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione
SMILESC=N/C(=C\C=C(/C)NC1CCC(=O)NC1=O)C(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-10(6-8-12(16-5)15(2,3)4)17-11-7-9-13(19)18-14(11)20/h6,8,11,17H,5,7,9H2,1-4H3,(H,18,19,20)/b10-6+,12-8-
InChIKeyFULCMDLUTDTTFD-XCPJPICESA-N
XLogP1.92
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione (CID 156551549) is 3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione is C=N/C(=C\C=C(/C)NC1CCC(=O)NC1=O)C(C)(C)C.
What is the InChIKey of 3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione?
The InChIKey is FULCMDLUTDTTFD-XCPJPICESA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(6-8-12(16-5)15(2,3)4)17-11-7-9-13(19)18-14(11)20/h6,8,11,17H,5,7,9H2,1-4H3,(H,18,19,20)/b10-6+,12-8-.
What are the key properties of 3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione?
3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione has a molecular weight of 277.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 156551549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).