2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol

C15H31F3N2O — CID 106809367

IUPAC2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C15H31F3N2O/c1-5-9-19-14(6-2,12-21)8-7-10-20(13(3)4)11-15(16,17)18/h13,19,21H,5-12H2,1-4H3
InChIKeyMCDKJSOVQBESDD-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.18
Rot. Bonds11

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

2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol (PubChem CID 106809367) has the molecular formula C15H31F3N2O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol
PubChem CID106809367
Molecular FormulaC15H31F3N2O
Molecular Weight312.42 g/mol
Exact Mass312.24
IUPAC Name2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C15H31F3N2O/c1-5-9-19-14(6-2,12-21)8-7-10-20(13(3)4)11-15(16,17)18/h13,19,21H,5-12H2,1-4H3
InChIKeyMCDKJSOVQBESDD-UHFFFAOYSA-N
XLogP3.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol (CID 106809367) is 2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol is CCCNC(CC)(CO)CCCN(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol?
The InChIKey is MCDKJSOVQBESDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F3N2O/c1-5-9-19-14(6-2,12-21)8-7-10-20(13(3)4)11-15(16,17)18/h13,19,21H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol?
2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol has a molecular weight of 312.42 g/mol, XLogP of 3.18, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 106809367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).