N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol

C19H44N2O3 — CID 142932735

IUPACN,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC.CC(C)(C)N(O)C(C)(C)C.CC1(C)CC(O)CC(C)(C)N1O
InChIInChI=1S/C9H19NO2.C8H19NO.C2H6/c1-8(2)5-7(11)6-9(3,4)10(8)12;1-7(2,3)9(10)8(4,5)6;1-2/h7,11-12H,5-6H2,1-4H3;10H,1-6H3;1-2H3
InChIKeyPXTAJUPDRCCWHZ-UHFFFAOYSA-N
MW348.57 g/mol
LogP4.69
Rot. Bonds

About N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol

N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 142932735) has the molecular formula C19H44N2O3 and a molecular weight of 348.57 g/mol. Its IUPAC name is N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound NameN,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID142932735
Molecular FormulaC19H44N2O3
Molecular Weight348.57 g/mol
Exact Mass348.34
IUPAC NameN,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC.CC(C)(C)N(O)C(C)(C)C.CC1(C)CC(O)CC(C)(C)N1O
InChIInChI=1S/C9H19NO2.C8H19NO.C2H6/c1-8(2)5-7(11)6-9(3,4)10(8)12;1-7(2,3)9(10)8(4,5)6;1-2/h7,11-12H,5-6H2,1-4H3;10H,1-6H3;1-2H3
InChIKeyPXTAJUPDRCCWHZ-UHFFFAOYSA-N
XLogP4.69
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.57
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid
CID 173256440
1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol
CID 138599858
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol)
CID 173025963
tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 135359248
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
1,1-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hydrazine
CID 129171446
1-hydroxy-N,2,2,6,6-pentamethylpiperidin-4-amine
CID 11853021
tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid
CID 160951906
1-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 57082175
1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-ol
CID 551669
2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 173091347
1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 6850828

Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol (CID 142932735) is N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol is CC.CC(C)(C)N(O)C(C)(C)C.CC1(C)CC(O)CC(C)(C)N1O.
What is the InChIKey of N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is PXTAJUPDRCCWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C8H19NO.C2H6/c1-8(2)5-7(11)6-9(3,4)10(8)12;1-7(2,3)9(10)8(4,5)6;1-2/h7,11-12H,5-6H2,1-4H3;10H,1-6H3;1-2H3.
What are the key properties of N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 348.57 g/mol, XLogP of 4.69, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 142932735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).