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

C24H50N4 — CID 54324719

IUPAC1-N,1-N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,1-diamine
SMILESCCCCCC(NC1CC(C)(C)NC(C)(C)C1)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H50N4/c1-10-11-12-13-20(25-18-14-21(2,3)27-22(4,5)15-18)26-19-16-23(6,7)28-24(8,9)17-19/h18-20,25-28H,10-17H2,1-9H3
InChIKeySUCHMRLZWQTGMX-UHFFFAOYSA-N
MW394.69 g/mol
LogP4.69
Rot. Bonds8

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

1-N,1-N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,1-diamine (PubChem CID 54324719) has the molecular formula C24H50N4 and a molecular weight of 394.69 g/mol. Its IUPAC name is 1-N,1-N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,1-diamine
PubChem CID54324719
Molecular FormulaC24H50N4
Molecular Weight394.69 g/mol
Exact Mass394.40
IUPAC Name1-N,1-N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,1-diamine
SMILESCCCCCC(NC1CC(C)(C)NC(C)(C)C1)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H50N4/c1-10-11-12-13-20(25-18-14-21(2,3)27-22(4,5)15-18)26-19-16-23(6,7)28-24(8,9)17-19/h18-20,25-28H,10-17H2,1-9H3
InChIKeySUCHMRLZWQTGMX-UHFFFAOYSA-N
XLogP4.69
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.69
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,1-diamine (CID 54324719) is 1-N,1-N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,1-diamine is CCCCCC(NC1CC(C)(C)NC(C)(C)C1)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-N,1-N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,1-diamine?
The InChIKey is SUCHMRLZWQTGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N4/c1-10-11-12-13-20(25-18-14-21(2,3)27-22(4,5)15-18)26-19-16-23(6,7)28-24(8,9)17-19/h18-20,25-28H,10-17H2,1-9H3.
What are the key properties of 1-N,1-N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,1-diamine?
1-N,1-N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,1-diamine has a molecular weight of 394.69 g/mol, XLogP of 4.69, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,1-diamine is sourced from PubChem (CID 54324719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).