2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol

C13H27F3N2O — CID 106809337

IUPAC2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(CO)(CCCN(C)CC(F)(F)F)NC(C)C
InChIInChI=1S/C13H27F3N2O/c1-5-12(10-19,17-11(2)3)7-6-8-18(4)9-13(14,15)16/h11,17,19H,5-10H2,1-4H3
InChIKeyCTKNSAFLSWEMEG-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.40
Rot. Bonds9

About 2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol

2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 106809337) has the molecular formula C13H27F3N2O and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
PubChem CID106809337
Molecular FormulaC13H27F3N2O
Molecular Weight284.37 g/mol
Exact Mass284.21
IUPAC Name2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(CO)(CCCN(C)CC(F)(F)F)NC(C)C
InChIInChI=1S/C13H27F3N2O/c1-5-12(10-19,17-11(2)3)7-6-8-18(4)9-13(14,15)16/h11,17,19H,5-10H2,1-4H3
InChIKeyCTKNSAFLSWEMEG-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol (CID 106809337) is 2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol is CCC(CO)(CCCN(C)CC(F)(F)F)NC(C)C.
What is the InChIKey of 2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is CTKNSAFLSWEMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2O/c1-5-12(10-19,17-11(2)3)7-6-8-18(4)9-13(14,15)16/h11,17,19H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol?
2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 284.37 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 106809337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).