5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine

C13H25F3N2O — CID 115517290

IUPAC5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)C1CN(C)CCO1
InChIInChI=1S/C13H25F3N2O/c1-3-7-17-11(5-4-6-13(14,15)16)12-10-18(2)8-9-19-12/h11-12,17H,3-10H2,1-2H3
InChIKeyDZGWXCLEFAIAND-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.42
Rot. Bonds7

About 5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine

5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine (PubChem CID 115517290) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine
PubChem CID115517290
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)C1CN(C)CCO1
InChIInChI=1S/C13H25F3N2O/c1-3-7-17-11(5-4-6-13(14,15)16)12-10-18(2)8-9-19-12/h11-12,17H,3-10H2,1-2H3
InChIKeyDZGWXCLEFAIAND-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5,5-trifluoro-N-propyl-1-(4-propylmorpholin-2-yl)pentan-1-amine
CID 115517365
1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 79092505
3-methyl-1-(4-methylmorpholin-2-yl)-N-propylhexan-1-amine
CID 79093366
1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine
CID 79093470
N-ethyl-1-(4-methylmorpholin-2-yl)heptan-1-amine
CID 79092487
N-methyl-1-(4-methylmorpholin-2-yl)pentan-1-amine
CID 79093239
N-ethyl-5-methyl-1-(4-methylmorpholin-2-yl)hexan-1-amine
CID 83160848
1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023867
N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 115983887
5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 113327066
N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095154
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79093466

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine (CID 115517290) is 5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)C1CN(C)CCO1.
What is the InChIKey of 5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine?
The InChIKey is DZGWXCLEFAIAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-7-17-11(5-4-6-13(14,15)16)12-10-18(2)8-9-19-12/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine?
5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 115517290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).