N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine

C36H74N6 — CID 54572545

IUPACN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine
SMILESCC1(C)CC(NCCCCC(CCCNC2CC(C)(C)NC(C)(C)C2)CNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C36H74N6/c1-31(2)20-28(21-32(3,4)40-31)37-18-14-13-16-27(26-39-30-24-35(9,10)42-36(11,12)25-30)17-15-19-38-29-22-33(5,6)41-34(7,8)23-29/h27-30,37-42H,13-26H2,1-12H3
InChIKeyZYIMGCCAZJKSIH-UHFFFAOYSA-N
MW591.03 g/mol
LogP6.25
Rot. Bonds14

About N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine

N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine (PubChem CID 54572545) has the molecular formula C36H74N6 and a molecular weight of 591.03 g/mol. Its IUPAC name is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine.

Molecular Properties

Compound NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine
PubChem CID54572545
Molecular FormulaC36H74N6
Molecular Weight591.03 g/mol
Exact Mass590.60
IUPAC NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine
SMILESCC1(C)CC(NCCCCC(CCCNC2CC(C)(C)NC(C)(C)C2)CNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C36H74N6/c1-31(2)20-28(21-32(3,4)40-31)37-18-14-13-16-27(26-39-30-24-35(9,10)42-36(11,12)25-30)17-15-19-38-29-22-33(5,6)41-34(7,8)23-29/h27-30,37-42H,13-26H2,1-12H3
InChIKeyZYIMGCCAZJKSIH-UHFFFAOYSA-N
XLogP6.25
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500591.03
LogP ≤ 56.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine?
The IUPAC name of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine (CID 54572545) is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine.
What is the SMILES notation for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine?
The canonical SMILES for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine is CC1(C)CC(NCCCCC(CCCNC2CC(C)(C)NC(C)(C)C2)CNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine?
The InChIKey is ZYIMGCCAZJKSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74N6/c1-31(2)20-28(21-32(3,4)40-31)37-18-14-13-16-27(26-39-30-24-35(9,10)42-36(11,12)25-30)17-15-19-38-29-22-33(5,6)41-34(7,8)23-29/h27-30,37-42H,13-26H2,1-12H3.
What are the key properties of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine?
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine has a molecular weight of 591.03 g/mol, XLogP of 6.25, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]octane-1,8-diamine is sourced from PubChem (CID 54572545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).