5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine

C13H24F3NO — CID 113327066

IUPAC5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)C1CCCOC1
InChIInChI=1S/C13H24F3NO/c1-2-8-17-12(6-3-7-13(14,15)16)11-5-4-9-18-10-11/h11-12,17H,2-10H2,1H3
InChIKeyHFHYFGRYHRRLMN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds7

About 5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine

5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine (PubChem CID 113327066) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
PubChem CID113327066
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)C1CCCOC1
InChIInChI=1S/C13H24F3NO/c1-2-8-17-12(6-3-7-13(14,15)16)11-5-4-9-18-10-11/h11-12,17H,2-10H2,1H3
InChIKeyHFHYFGRYHRRLMN-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

Analyze 5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
[5,5,5-trifluoro-1-(oxan-3-yl)pentyl]hydrazine
CID 105229920
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
1-(oxan-3-yl)-N-propyloct-7-en-1-amine
CID 107009211
N-ethyl-1-(oxan-3-yl)pentan-1-amine
CID 65331760
1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023867
3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139233
N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107139090
5,5,5-trifluoro-1-(2-methylcyclopentyl)-N-propylpentan-1-amine
CID 107190458
ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate
CID 65236041
6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine
CID 103987551

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine (CID 113327066) is 5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)C1CCCOC1.
What is the InChIKey of 5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine?
The InChIKey is HFHYFGRYHRRLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-8-17-12(6-3-7-13(14,15)16)11-5-4-9-18-10-11/h11-12,17H,2-10H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine?
5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-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-3-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 113327066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).