N-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine

C35H64N2O2 — CID 134238678

IUPACN-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine
SMILESCCc1cc(CCCCOC(C)CC(C)(C)NC(C)(C)C)ccc1CCCCOC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C35H64N2O2/c1-12-29-23-28(17-13-15-21-38-27(2)24-33(6,7)36-32(3,4)5)19-20-30(29)18-14-16-22-39-31-25-34(8,9)37-35(10,11)26-31/h19-20,23,27,31,36-37H,12-18,21-22,24-26H2,1-11H3
InChIKeyIFEOJRYMKZQLBZ-UHFFFAOYSA-N
MW544.91 g/mol
LogP8.18
Rot. Bonds16

About N-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine

N-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine (PubChem CID 134238678) has the molecular formula C35H64N2O2 and a molecular weight of 544.91 g/mol. Its IUPAC name is N-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine
PubChem CID134238678
Molecular FormulaC35H64N2O2
Molecular Weight544.91 g/mol
Exact Mass544.50
IUPAC NameN-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine
SMILESCCc1cc(CCCCOC(C)CC(C)(C)NC(C)(C)C)ccc1CCCCOC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C35H64N2O2/c1-12-29-23-28(17-13-15-21-38-27(2)24-33(6,7)36-32(3,4)5)19-20-30(29)18-14-16-22-39-31-25-34(8,9)37-35(10,11)26-31/h19-20,23,27,31,36-37H,12-18,21-22,24-26H2,1-11H3
InChIKeyIFEOJRYMKZQLBZ-UHFFFAOYSA-N
XLogP8.18
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.91
LogP ≤ 58.18
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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Related Compounds

[4-[3-[2-ethyl-4-[3-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)oxypropyl]phenyl]propoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 147650056
1-O-[3-[4-methyl-4-(methylamino)pentan-2-yl]oxypropyl] 3-O-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-butyl-2-(3-iodopropyl)propanedioate
CID 153368732
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
2-methyl-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propan-2-amine
CID 135283539
6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine
CID 115483370
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octoxy]-4-oxobutanoyl]oxypropyl]-2-butylpropanedioate;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate;(2,2,6,6-tetramethylpiperidin-4-yl) 5-[3,4-bis[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate
CID 160616728
4-[[4-[19-[4-[(4-aminophenyl)methyl]-2-ethylphenyl]nonadecyl]-3-ethylphenyl]methyl]aniline
CID 22919524
CID 22982953
CID 22982953
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
4-(6-hexoxyheptyl)benzoic acid
CID 139683133
dimethoxymethyl-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]silane
CID 71337880
4-(7,7-dimethyloctyl)-2-methyl-1-[4-(1-methylcyclopropyl)butyl]benzene
CID 174103795

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine?
The IUPAC name of N-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine (CID 134238678) is N-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine.
What is the SMILES notation for N-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine?
The canonical SMILES for N-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine is CCc1cc(CCCCOC(C)CC(C)(C)NC(C)(C)C)ccc1CCCCOC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine?
The InChIKey is IFEOJRYMKZQLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H64N2O2/c1-12-29-23-28(17-13-15-21-38-27(2)24-33(6,7)36-32(3,4)5)19-20-30(29)18-14-16-22-39-31-25-34(8,9)37-35(10,11)26-31/h19-20,23,27,31,36-37H,12-18,21-22,24-26H2,1-11H3.
What are the key properties of N-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine?
N-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine has a molecular weight of 544.91 g/mol, XLogP of 8.18, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-[3-ethyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]phenyl]butoxy]-2-methylpentan-2-amine is sourced from PubChem (CID 134238678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).