(E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide

C24H44N4O2 — CID 19367368

IUPAC(E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide
SMILESCC1(C)CC(NC(=O)C/C=C/CC(=O)NC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C24H44N4O2/c1-21(2)13-17(14-22(3,4)27-21)25-19(29)11-9-10-12-20(30)26-18-15-23(5,6)28-24(7,8)16-18/h9-10,17-18,27-28H,11-16H2,1-8H3,(H,25,29)(H,26,30)/b10-9+
InChIKeyDXZJAWLCRIOVRT-MDZDMXLPSA-N
MW420.64 g/mol
LogP3.17
Rot. Bonds6

About (E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide

(E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide (PubChem CID 19367368) has the molecular formula C24H44N4O2 and a molecular weight of 420.64 g/mol. Its IUPAC name is (E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide.

Molecular Properties

Compound Name(E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide
PubChem CID19367368
Molecular FormulaC24H44N4O2
Molecular Weight420.64 g/mol
Exact Mass420.35
IUPAC Name(E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide
SMILESCC1(C)CC(NC(=O)C/C=C/CC(=O)NC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C24H44N4O2/c1-21(2)13-17(14-22(3,4)27-21)25-19(29)11-9-10-12-20(30)26-18-15-23(5,6)28-24(7,8)16-18/h9-10,17-18,27-28H,11-16H2,1-8H3,(H,25,29)(H,26,30)/b10-9+
InChIKeyDXZJAWLCRIOVRT-MDZDMXLPSA-N
XLogP3.17
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.64
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide?
The IUPAC name of (E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide (CID 19367368) is (E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide.
What is the SMILES notation for (E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide?
The canonical SMILES for (E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide is CC1(C)CC(NC(=O)C/C=C/CC(=O)NC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of (E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide?
The InChIKey is DXZJAWLCRIOVRT-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H44N4O2/c1-21(2)13-17(14-22(3,4)27-21)25-19(29)11-9-10-12-20(30)26-18-15-23(5,6)28-24(7,8)16-18/h9-10,17-18,27-28H,11-16H2,1-8H3,(H,25,29)(H,26,30)/b10-9+.
What are the key properties of (E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide?
(E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide has a molecular weight of 420.64 g/mol, XLogP of 3.17, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide is sourced from PubChem (CID 19367368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).