ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine

C17H40F3N3O2 — CID 144580578

IUPACethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine
SMILESCC.CC.CN1CCCCC1.CN1CCOCC1.NOCC(F)(F)F
InChIInChI=1S/C6H13N.C5H11NO.C2H4F3NO.2C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;3-2(4,5)1-7-6;2*1-2/h2-6H2,1H3;2-5H2,1H3;1,6H2;2*1-2H3
InChIKeyFWYLEMSKODFYOB-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.54
Rot. Bonds1

About ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine

ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine (PubChem CID 144580578) has the molecular formula C17H40F3N3O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine.

Molecular Properties

Compound Nameethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine
PubChem CID144580578
Molecular FormulaC17H40F3N3O2
Molecular Weight375.52 g/mol
Exact Mass375.31
IUPAC Nameethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine
SMILESCC.CC.CN1CCCCC1.CN1CCOCC1.NOCC(F)(F)F
InChIInChI=1S/C6H13N.C5H11NO.C2H4F3NO.2C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;3-2(4,5)1-7-6;2*1-2/h2-6H2,1H3;2-5H2,1H3;1,6H2;2*1-2H3
InChIKeyFWYLEMSKODFYOB-UHFFFAOYSA-N
XLogP3.54
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-1-[2-[2-(1-ethylpiperidin-1-ium-1-yl)ethoxy]ethyl]piperidin-1-ium
CID 3048563
4-(1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-morpholin-4-ylhexyl)morpholine
CID 88452557
3-Methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine
CID 142768125
4,4-Difluoro-1-methylpiperidine;4-fluoro-1-methylpiperidine;4-methylmorpholine
CID 144481106
4,4-Difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine
CID 144926144
1,1,1-Trifluoroethane;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-2-(trifluoromethyl)morpholine
CID 145366175
4,4-Difluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine
CID 169266269
4,4-Difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine
CID 171827373
4,4-Difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine
CID 177030560
4-Ethyl-4-[6-(4-ethylmorpholin-4-ium-4-yl)hexyl]morpholin-4-ium
CID 116276
4-Methyl-4-[6-(4-methylmorpholin-4-ium-4-yl)hexyl]morpholin-4-ium
CID 116278
4-Methyl-4-[5-(4-methylmorpholin-4-ium-4-yl)pentyl]morpholin-4-ium
CID 116290

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine?
The IUPAC name of ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine (CID 144580578) is ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine.
What is the SMILES notation for ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine?
The canonical SMILES for ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine is CC.CC.CN1CCCCC1.CN1CCOCC1.NOCC(F)(F)F.
What is the InChIKey of ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine?
The InChIKey is FWYLEMSKODFYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H11NO.C2H4F3NO.2C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;3-2(4,5)1-7-6;2*1-2/h2-6H2,1H3;2-5H2,1H3;1,6H2;2*1-2H3.
What are the key properties of ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine?
ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine has a molecular weight of 375.52 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine is sourced from PubChem (CID 144580578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).