3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane

C22H44N2O2 — CID 177198123

IUPAC3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane
SMILESCC.CC.CC.CCCC(C)/C(C)=C/C=C(\C)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H26N2O2.3C2H6/c1-5-6-11(2)12(3)7-8-13(4)17-14-9-10-15(19)18-16(14)20;3*1-2/h7-8,11,14,17H,5-6,9-10H2,1-4H3,(H,18,19,20);3*1-2H3/b12-7+,13-8+;;;
InChIKeyCBMWRQHSMXAZMV-ONMLLRTDSA-N
MW368.61 g/mol
LogP5.75
Rot. Bonds6

About 3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane

3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane (PubChem CID 177198123) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is 3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane.

Molecular Properties

Compound Name3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane
PubChem CID177198123
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC Name3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane
SMILESCC.CC.CC.CCCC(C)/C(C)=C/C=C(\C)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H26N2O2.3C2H6/c1-5-6-11(2)12(3)7-8-13(4)17-14-9-10-15(19)18-16(14)20;3*1-2/h7-8,11,14,17H,5-6,9-10H2,1-4H3,(H,18,19,20);3*1-2H3/b12-7+,13-8+;;;
InChIKeyCBMWRQHSMXAZMV-ONMLLRTDSA-N
XLogP5.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane?
The IUPAC name of 3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane (CID 177198123) is 3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane.
What is the SMILES notation for 3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane?
The canonical SMILES for 3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane is CC.CC.CC.CCCC(C)/C(C)=C/C=C(\C)NC1CCC(=O)NC1=O.
What is the InChIKey of 3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane?
The InChIKey is CBMWRQHSMXAZMV-ONMLLRTDSA-N. The full InChI is InChI=1S/C16H26N2O2.3C2H6/c1-5-6-11(2)12(3)7-8-13(4)17-14-9-10-15(19)18-16(14)20;3*1-2/h7-8,11,14,17H,5-6,9-10H2,1-4H3,(H,18,19,20);3*1-2H3/b12-7+,13-8+;;;.
What are the key properties of 3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane?
3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane has a molecular weight of 368.61 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane is sourced from PubChem (CID 177198123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).