N,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine

C58H116N6O2 — CID 172719454

IUPACN,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCCCCCCCCON1C(C)(C)CCC(N(CCCCCCN(C2CC(C)(C)NC(C)(C)C2)C2CCC(C)(C)N(OCCCCCCCC)C2(C)C)C2CC(C)(C)NC(C)(C)C2)C1(C)C
InChIInChI=1S/C58H116N6O2/c1-19-21-23-25-29-33-41-65-63-55(11,12)37-35-49(57(63,15)16)61(47-43-51(3,4)59-52(5,6)44-47)39-31-27-28-32-40-62(48-45-53(7,8)60-54(9,10)46-48)50-36-38-56(13,14)64(58(50,17)18)66-42-34-30-26-24-22-20-2/h47-50,59-60H,19-46H2,1-18H3
InChIKeyGHQYTXIHZGNENB-UHFFFAOYSA-N
MW929.61 g/mol
LogP14.40
Rot. Bonds27

About N,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine

N,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 172719454) has the molecular formula C58H116N6O2 and a molecular weight of 929.61 g/mol. Its IUPAC name is N,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID172719454
Molecular FormulaC58H116N6O2
Molecular Weight929.61 g/mol
Exact Mass928.92
IUPAC NameN,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCCCCCCCCON1C(C)(C)CCC(N(CCCCCCN(C2CC(C)(C)NC(C)(C)C2)C2CCC(C)(C)N(OCCCCCCCC)C2(C)C)C2CC(C)(C)NC(C)(C)C2)C1(C)C
InChIInChI=1S/C58H116N6O2/c1-19-21-23-25-29-33-41-65-63-55(11,12)37-35-49(57(63,15)16)61(47-43-51(3,4)59-52(5,6)44-47)39-31-27-28-32-40-62(48-45-53(7,8)60-54(9,10)46-48)50-36-38-56(13,14)64(58(50,17)18)66-42-34-30-26-24-22-20-2/h47-50,59-60H,19-46H2,1-18H3
InChIKeyGHQYTXIHZGNENB-UHFFFAOYSA-N
XLogP14.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.61
LogP ≤ 514.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (CID 172719454) is N,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is CCCCCCCCON1C(C)(C)CCC(N(CCCCCCN(C2CC(C)(C)NC(C)(C)C2)C2CCC(C)(C)N(OCCCCCCCC)C2(C)C)C2CC(C)(C)NC(C)(C)C2)C1(C)C.
What is the InChIKey of N,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is GHQYTXIHZGNENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H116N6O2/c1-19-21-23-25-29-33-41-65-63-55(11,12)37-35-49(57(63,15)16)61(47-43-51(3,4)59-52(5,6)44-47)39-31-27-28-32-40-62(48-45-53(7,8)60-54(9,10)46-48)50-36-38-56(13,14)64(58(50,17)18)66-42-34-30-26-24-22-20-2/h47-50,59-60H,19-46H2,1-18H3.
What are the key properties of N,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
N,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 929.61 g/mol, XLogP of 14.40, 27 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 172719454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).