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

C26H54N4 — CID 141204239

IUPAC1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine
SMILESCCCCCC(NC1CC(C)(C)N(C)C(C)(C)C1)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C26H54N4/c1-12-13-14-15-22(27-20-16-23(2,3)29(10)24(4,5)17-20)28-21-18-25(6,7)30(11)26(8,9)19-21/h20-22,27-28H,12-19H2,1-11H3
InChIKeyKKJSZWXUUGJUSE-UHFFFAOYSA-N
MW422.75 g/mol
LogP5.37
Rot. Bonds8

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

1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine (PubChem CID 141204239) has the molecular formula C26H54N4 and a molecular weight of 422.75 g/mol. Its IUPAC name is 1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine
PubChem CID141204239
Molecular FormulaC26H54N4
Molecular Weight422.75 g/mol
Exact Mass422.43
IUPAC Name1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine
SMILESCCCCCC(NC1CC(C)(C)N(C)C(C)(C)C1)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C26H54N4/c1-12-13-14-15-22(27-20-16-23(2,3)29(10)24(4,5)17-20)28-21-18-25(6,7)30(11)26(8,9)19-21/h20-22,27-28H,12-19H2,1-11H3
InChIKeyKKJSZWXUUGJUSE-UHFFFAOYSA-N
XLogP5.37
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.75
LogP ≤ 55.37
H-Bond Donors ≤ 52
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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Related Compounds

1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine
CID 88767301
1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine
CID 134316434
N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine
CID 159126034
1,2,2,6,6-pentamethyl-4-octoxypiperidine
CID 155074808
1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine
CID 141058691
(1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate
CID 54571044
1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine
CID 139895250
ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine
CID 159909594
sodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide
CID 175384927
CID 101119102
CID 101119102
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
butane;1,2,2,4,6,6-hexamethylpiperidine;methane
CID 158536756

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine (CID 141204239) is 1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine is CCCCCC(NC1CC(C)(C)N(C)C(C)(C)C1)NC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine?
The InChIKey is KKJSZWXUUGJUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N4/c1-12-13-14-15-22(27-20-16-23(2,3)29(10)24(4,5)17-20)28-21-18-25(6,7)30(11)26(8,9)19-21/h20-22,27-28H,12-19H2,1-11H3.
What are the key properties of 1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine?
1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine has a molecular weight of 422.75 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine is sourced from PubChem (CID 141204239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).