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

C13H24F3NO — CID 79965180

IUPAC5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C13H24F3NO/c1-2-7-17-12(3-6-13(14,15)16)10-11-4-8-18-9-5-11/h11-12,17H,2-10H2,1H3
InChIKeyJUNHRJLINJTPBE-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds7

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

5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine (PubChem CID 79965180) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
PubChem CID79965180
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C13H24F3NO/c1-2-7-17-12(3-6-13(14,15)16)10-11-4-8-18-9-5-11/h11-12,17H,2-10H2,1H3
InChIKeyJUNHRJLINJTPBE-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine
CID 103987551
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851
1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine
CID 79092648
1-cyclopentyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992726
1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
1-methylsulfonyl-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55093714
1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 105138737
1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine
CID 62604821
6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
CID 113362206
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine (CID 79965180) is 5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)CC1CCOCC1.
What is the InChIKey of 5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine?
The InChIKey is JUNHRJLINJTPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-7-17-12(3-6-13(14,15)16)10-11-4-8-18-9-5-11/h11-12,17H,2-10H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine?
5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 79965180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).