N-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine

C13H24F3NO — CID 114241983

IUPACN-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)C1CCOCC1C
InChIInChI=1S/C13H24F3NO/c1-3-17-12(5-4-7-13(14,15)16)11-6-8-18-9-10(11)2/h10-12,17H,3-9H2,1-2H3
InChIKeyYSCFPSWYPLVNAH-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds6

About N-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine

N-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine (PubChem CID 114241983) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine
PubChem CID114241983
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)C1CCOCC1C
InChIInChI=1S/C13H24F3NO/c1-3-17-12(5-4-7-13(14,15)16)11-6-8-18-9-10(11)2/h10-12,17H,3-9H2,1-2H3
InChIKeyYSCFPSWYPLVNAH-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rac-(2R,4S)-4-methyl-2-(oxan-4-yl)piperidine
CID 165942131
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
4-[5-(2,2,2-Trifluoroethoxy)pentyl]piperidine
CID 142825207
4-[4-(4,4,4-Trifluorobutoxy)butyl]piperidine
CID 143045350
3-[3,3-Difluoro-2-(piperidin-2-ylmethyl)butoxy]propanal
CID 146517460
3,3-Difluoro-4-[1-(oxan-3-yl)propan-2-yl]pyrrolidine
CID 156072219
3,3-Difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine
CID 170414141
2-(Difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane
CID 170771444
3,3-Difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen
CID 171531442
(2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine
CID 178086418
2-(3-Methoxycyclohexyl)-5-(trifluoromethyl)piperidine
CID 5231219
N-ethyl-2-methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961770

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine (CID 114241983) is N-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine is CCNC(CCCC(F)(F)F)C1CCOCC1C.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine?
The InChIKey is YSCFPSWYPLVNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-17-12(5-4-7-13(14,15)16)11-6-8-18-9-10(11)2/h10-12,17H,3-9H2,1-2H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine?
N-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine is sourced from PubChem (CID 114241983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).