2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane

C25H50N4 — CID 23451977

IUPAC2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane
SMILESCCCC1N(C2CC(C)(C)NC(C)(C)C2)CCCN1C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H50N4/c1-10-12-21-28(19-15-22(2,3)26-23(4,5)16-19)13-11-14-29(21)20-17-24(6,7)27-25(8,9)18-20/h19-21,26-27H,10-18H2,1-9H3
InChIKeySTHSQIKBRQTLHM-UHFFFAOYSA-N
MW406.70 g/mol
LogP4.74
Rot. Bonds4

About 2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane

2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane (PubChem CID 23451977) has the molecular formula C25H50N4 and a molecular weight of 406.70 g/mol. Its IUPAC name is 2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane.

Molecular Properties

Compound Name2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane
PubChem CID23451977
Molecular FormulaC25H50N4
Molecular Weight406.70 g/mol
Exact Mass406.40
IUPAC Name2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane
SMILESCCCC1N(C2CC(C)(C)NC(C)(C)C2)CCCN1C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H50N4/c1-10-12-21-28(19-15-22(2,3)26-23(4,5)16-19)13-11-14-29(21)20-17-24(6,7)27-25(8,9)18-20/h19-21,26-27H,10-18H2,1-9H3
InChIKeySTHSQIKBRQTLHM-UHFFFAOYSA-N
XLogP4.74
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.70
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane?
The IUPAC name of 2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane (CID 23451977) is 2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane.
What is the SMILES notation for 2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane?
The canonical SMILES for 2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane is CCCC1N(C2CC(C)(C)NC(C)(C)C2)CCCN1C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane?
The InChIKey is STHSQIKBRQTLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N4/c1-10-12-21-28(19-15-22(2,3)26-23(4,5)16-19)13-11-14-29(21)20-17-24(6,7)27-25(8,9)18-20/h19-21,26-27H,10-18H2,1-9H3.
What are the key properties of 2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane?
2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane has a molecular weight of 406.70 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinane is sourced from PubChem (CID 23451977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).