2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine

C14H27F3N2O — CID 116535193

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
SMILESCCC1COC(C)CN1C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-4-12-9-20-11(2)8-19(12)13(3,10-18)6-5-7-14(15,16)17/h11-12H,4-10,18H2,1-3H3
InChIKeyBDGCWYRHHAMVFT-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.94
Rot. Bonds6

About 2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine

2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine (PubChem CID 116535193) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
PubChem CID116535193
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
SMILESCCC1COC(C)CN1C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-4-12-9-20-11(2)8-19(12)13(3,10-18)6-5-7-14(15,16)17/h11-12H,4-10,18H2,1-3H3
InChIKeyBDGCWYRHHAMVFT-UHFFFAOYSA-N
XLogP2.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine (CID 116535193) is 2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine is CCC1COC(C)CN1C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The InChIKey is BDGCWYRHHAMVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-4-12-9-20-11(2)8-19(12)13(3,10-18)6-5-7-14(15,16)17/h11-12H,4-10,18H2,1-3H3.
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine has a molecular weight of 296.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine is sourced from PubChem (CID 116535193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).