1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate

C29H56N2O4 — CID 123374150

IUPAC1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
SMILESCCC(C)(C)NC(C)(C)CCOC(=O)CCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C29H56N2O4/c1-10-26(2,3)30-27(4,5)19-20-34-24(32)17-15-13-11-12-14-16-18-25(33)35-23-21-28(6,7)31-29(8,9)22-23/h23,30-31H,10-22H2,1-9H3
InChIKeyIAMFUNNPNQWUQU-UHFFFAOYSA-N
MW496.78 g/mol
LogP6.45
Rot. Bonds16

About 1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate

1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate (PubChem CID 123374150) has the molecular formula C29H56N2O4 and a molecular weight of 496.78 g/mol. Its IUPAC name is 1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate.

Molecular Properties

Compound Name1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
PubChem CID123374150
Molecular FormulaC29H56N2O4
Molecular Weight496.78 g/mol
Exact Mass496.42
IUPAC Name1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
SMILESCCC(C)(C)NC(C)(C)CCOC(=O)CCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C29H56N2O4/c1-10-26(2,3)30-27(4,5)19-20-34-24(32)17-15-13-11-12-14-16-18-25(33)35-23-21-28(6,7)31-29(8,9)22-23/h23,30-31H,10-22H2,1-9H3
InChIKeyIAMFUNNPNQWUQU-UHFFFAOYSA-N
XLogP6.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.78
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
CID 161160145
1-O-(2-hydroxyethyl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 70364233
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
(2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate
CID 90295268
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one
CID 137378199
(2,2,6,6-tetramethylpiperidin-4-yl) 10-oxodecanoate
CID 126551822
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 159805221
bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate
CID 137448538
(2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate
CID 126548120
bis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) heptanedioate
CID 121244522
1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octoxy]-4-oxobutanoyl]oxypropyl]-2-butylpropanedioate
CID 135266139
bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 172808816

Frequently Asked Questions

What is the IUPAC name of 1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The IUPAC name of 1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate (CID 123374150) is 1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate.
What is the SMILES notation for 1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The canonical SMILES for 1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate is CCC(C)(C)NC(C)(C)CCOC(=O)CCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The InChIKey is IAMFUNNPNQWUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56N2O4/c1-10-26(2,3)30-27(4,5)19-20-34-24(32)17-15-13-11-12-14-16-18-25(33)35-23-21-28(6,7)31-29(8,9)22-23/h23,30-31H,10-22H2,1-9H3.
What are the key properties of 1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate has a molecular weight of 496.78 g/mol, XLogP of 6.45, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate is sourced from PubChem (CID 123374150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).