N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide

C19H36N2O2 — CID 22044437

IUPACN-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide
SMILESCCC/C=[N+](\[O-])C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C19H36N2O2/c1-6-7-13-20(22)16-14-18(2,3)21(19(4,5)15-16)23-17-11-9-8-10-12-17/h13,16-17H,6-12,14-15H2,1-5H3/b20-13-
InChIKeyXBAACWOFBUOVCB-MOSHPQCFSA-N
MW324.51 g/mol
LogP4.65
Rot. Bonds5

About N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide

N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide (PubChem CID 22044437) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide.

Molecular Properties

Compound NameN-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide
PubChem CID22044437
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC NameN-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide
SMILESCCC/C=[N+](\[O-])C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C19H36N2O2/c1-6-7-13-20(22)16-14-18(2,3)21(19(4,5)15-16)23-17-11-9-8-10-12-17/h13,16-17H,6-12,14-15H2,1-5H3/b20-13-
InChIKeyXBAACWOFBUOVCB-MOSHPQCFSA-N
XLogP4.65
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,N-dimethylmethanamine
CID 59934514
1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
CID 23372116
1-cyclohexyloxy-2,2,6,6-tetramethylpiperidine;1,3,5-triazine
CID 158059286
1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 157057576
2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
CID 19832525
N-benzyl-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine
CID 22902705
(4-butoxy-2,2,6,6-tetramethylpiperidin-1-yl) nitrate
CID 139948387
3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol
CID 164974144
(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(chloromethyl)benzoate
CID 54381320
1-O,2-O-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 90132227
propoxycyclooctane
CID 54078990
6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 135234608

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide?
The IUPAC name of N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide (CID 22044437) is N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide.
What is the SMILES notation for N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide?
The canonical SMILES for N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide is CCC/C=[N+](\[O-])C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.
What is the InChIKey of N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide?
The InChIKey is XBAACWOFBUOVCB-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-6-7-13-20(22)16-14-18(2,3)21(19(4,5)15-16)23-17-11-9-8-10-12-17/h13,16-17H,6-12,14-15H2,1-5H3/b20-13-.
What are the key properties of N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide?
N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide has a molecular weight of 324.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butan-1-imine oxide is sourced from PubChem (CID 22044437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).