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

C42H84N6 — CID 23218484

IUPACN,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCC1(C)CC(NCCCCCC(NC2CC(C)(C)NC(C)(C)C2)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H84N6/c1-34(2)22-30(23-35(3,4)45-34)42(31-24-36(5,6)46-37(7,8)25-31,44-33-28-40(13,14)48-41(15,16)29-33)20-18-17-19-21-43-32-26-38(9,10)47-39(11,12)27-32/h30-33,43-48H,17-29H2,1-16H3
InChIKeyUEAMYGSHAKWYKH-UHFFFAOYSA-N
MW673.18 g/mol
LogP8.20
Rot. Bonds11

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

N,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 23218484) has the molecular formula C42H84N6 and a molecular weight of 673.18 g/mol. Its IUPAC name is N,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID23218484
Molecular FormulaC42H84N6
Molecular Weight673.18 g/mol
Exact Mass672.68
IUPAC NameN,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCC1(C)CC(NCCCCCC(NC2CC(C)(C)NC(C)(C)C2)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H84N6/c1-34(2)22-30(23-35(3,4)45-34)42(31-24-36(5,6)46-37(7,8)25-31,44-33-28-40(13,14)48-41(15,16)29-33)20-18-17-19-21-43-32-26-38(9,10)47-39(11,12)27-32/h30-33,43-48H,17-29H2,1-16H3
InChIKeyUEAMYGSHAKWYKH-UHFFFAOYSA-N
XLogP8.20
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500673.18
LogP ≤ 58.20
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',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (CID 23218484) is N,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is CC1(C)CC(NCCCCCC(NC2CC(C)(C)NC(C)(C)C2)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of N,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is UEAMYGSHAKWYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H84N6/c1-34(2)22-30(23-35(3,4)45-34)42(31-24-36(5,6)46-37(7,8)25-31,44-33-28-40(13,14)48-41(15,16)29-33)20-18-17-19-21-43-32-26-38(9,10)47-39(11,12)27-32/h30-33,43-48H,17-29H2,1-16H3.
What are the key properties of N,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
N,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 673.18 g/mol, XLogP of 8.20, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 23218484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).