N,N'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine

C28H58N4 — CID 20517227

IUPACN,N'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCCN(CCCCCCN(CC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H58N4/c1-11-31(23-19-25(3,4)29-26(5,6)20-23)17-15-13-14-16-18-32(12-2)24-21-27(7,8)30-28(9,10)22-24/h23-24,29-30H,11-22H2,1-10H3
InChIKeyCQOODRDMIHTOFY-UHFFFAOYSA-N
MW450.80 g/mol
LogP5.81
Rot. Bonds11

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

N,N'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 20517227) has the molecular formula C28H58N4 and a molecular weight of 450.80 g/mol. Its IUPAC name is N,N'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID20517227
Molecular FormulaC28H58N4
Molecular Weight450.80 g/mol
Exact Mass450.47
IUPAC NameN,N'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCCN(CCCCCCN(CC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H58N4/c1-11-31(23-19-25(3,4)29-26(5,6)20-23)17-15-13-14-16-18-32(12-2)24-21-27(7,8)30-28(9,10)22-24/h23-24,29-30H,11-22H2,1-10H3
InChIKeyCQOODRDMIHTOFY-UHFFFAOYSA-N
XLogP5.81
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.80
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N,N'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (CID 20517227) is N,N'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N,N'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is CCN(CCCCCCN(CC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N,N'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is CQOODRDMIHTOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58N4/c1-11-31(23-19-25(3,4)29-26(5,6)20-23)17-15-13-14-16-18-32(12-2)24-21-27(7,8)30-28(9,10)22-24/h23-24,29-30H,11-22H2,1-10H3.
What are the key properties of N,N'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
N,N'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 450.80 g/mol, XLogP of 5.81, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 20517227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).