N-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine

C15H32N2O — CID 59960473

IUPACN-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine
SMILES[3H]N1C(C)(C)CC(N(C)CC(CC)OC)CC1(C)C
InChIInChI=1S/C15H32N2O/c1-8-13(18-7)11-17(6)12-9-14(2,3)16-15(4,5)10-12/h12-13,16H,8-11H2,1-7H3/i/hT
InChIKeyOYRDJOJKEBCWBD-MNYXATJNSA-N
MW258.44 g/mol
LogP2.65
Rot. Bonds5

About N-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine

N-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine (PubChem CID 59960473) has the molecular formula C15H32N2O and a molecular weight of 258.44 g/mol. Its IUPAC name is N-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine
PubChem CID59960473
Molecular FormulaC15H32N2O
Molecular Weight258.44 g/mol
Exact Mass258.26
IUPAC NameN-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine
SMILES[3H]N1C(C)(C)CC(N(C)CC(CC)OC)CC1(C)C
InChIInChI=1S/C15H32N2O/c1-8-13(18-7)11-17(6)12-9-14(2,3)16-15(4,5)10-12/h12-13,16H,8-11H2,1-7H3/i/hT
InChIKeyOYRDJOJKEBCWBD-MNYXATJNSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2,6,6-Tetramethylpiperidin-4-yl)morpholine
CID 801269
1-[(2,2,6,6-Tetramethylpiperidin-4-yl)amino]propan-2-ol
CID 17809081
morpholine;2,2,6,6-tetramethyl-N-propylpiperidin-4-amine
CID 19009852
N-(2,2,6,6-tetramethyl-4-piperidyl)-3-morpholinopropylamine
CID 19736767
1-[3-(2,2,6,6-Tetramethylpiperidin-1-yl)propylamino]propan-2-ol
CID 20317237
4-[N-(2,3-epoxypropyl)-N-methylamino]-2,2,6,6-tetramethylpiperidine
CID 20393554
N-(2-methoxyethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 20536070
N-(2-ethoxyethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 20536072
N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine
CID 20538481
N-(2-methoxybutyl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine
CID 20668962
1-[2-Hydroxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol
CID 21249383
1-[2-Hydroxybutyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butan-2-ol
CID 21848496

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine?
The IUPAC name of N-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine (CID 59960473) is N-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine.
What is the SMILES notation for N-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine?
The canonical SMILES for N-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine is [3H]N1C(C)(C)CC(N(C)CC(CC)OC)CC1(C)C.
What is the InChIKey of N-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine?
The InChIKey is OYRDJOJKEBCWBD-MNYXATJNSA-N. The full InChI is InChI=1S/C15H32N2O/c1-8-13(18-7)11-17(6)12-9-14(2,3)16-15(4,5)10-12/h12-13,16H,8-11H2,1-7H3/i/hT.
What are the key properties of N-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine?
N-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine has a molecular weight of 258.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxybutyl)-N,2,2,6,6-pentamethyl-1-tritiopiperidin-4-amine is sourced from PubChem (CID 59960473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).