2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol

C13H27F3N2O — CID 106809373

IUPAC2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCCNC(CC)(CO)CCCN(CC)CC(F)(F)F
InChIInChI=1S/C13H27F3N2O/c1-4-12(11-19,17-5-2)8-7-9-18(6-3)10-13(14,15)16/h17,19H,4-11H2,1-3H3
InChIKeyNTRZTSHNIIUSAT-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.40
Rot. Bonds10

About 2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol

2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (PubChem CID 106809373) has the molecular formula C13H27F3N2O and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
PubChem CID106809373
Molecular FormulaC13H27F3N2O
Molecular Weight284.37 g/mol
Exact Mass284.21
IUPAC Name2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCCNC(CC)(CO)CCCN(CC)CC(F)(F)F
InChIInChI=1S/C13H27F3N2O/c1-4-12(11-19,17-5-2)8-7-9-18(6-3)10-13(14,15)16/h17,19H,4-11H2,1-3H3
InChIKeyNTRZTSHNIIUSAT-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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

Analyze 2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol with MolForge

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Related Compounds

2-ethyl-2-(ethylamino)-5-[ethyl(propyl)amino]pentan-1-ol
CID 106809218
5-(dibutylamino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809152
5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809363
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol
CID 64826085
5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809866
2-ethyl-2-(ethylamino)-5-[methyl(3-methylbutyl)amino]pentan-1-ol
CID 106809579
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825293
2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid
CID 106805906
2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol
CID 64825496
2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol
CID 106809347
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64828287
2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol
CID 106809124

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (CID 106809373) is 2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is CCNC(CC)(CO)CCCN(CC)CC(F)(F)F.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The InChIKey is NTRZTSHNIIUSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2O/c1-4-12(11-19,17-5-2)8-7-9-18(6-3)10-13(14,15)16/h17,19H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol has a molecular weight of 284.37 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is sourced from PubChem (CID 106809373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).