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

C14H29F3N2O — CID 64825298

IUPAC2-methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCCCN(CCCC(C)(CO)NC(C)C)CC(F)(F)F
InChIInChI=1S/C14H29F3N2O/c1-5-8-19(10-14(15,16)17)9-6-7-13(4,11-20)18-12(2)3/h12,18,20H,5-11H2,1-4H3
InChIKeyOIEWJSBYBGOAKS-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.79
Rot. Bonds10

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

2-methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (PubChem CID 64825298) has the molecular formula C14H29F3N2O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
PubChem CID64825298
Molecular FormulaC14H29F3N2O
Molecular Weight298.39 g/mol
Exact Mass298.22
IUPAC Name2-methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCCCN(CCCC(C)(CO)NC(C)C)CC(F)(F)F
InChIInChI=1S/C14H29F3N2O/c1-5-8-19(10-14(15,16)17)9-6-7-13(4,11-20)18-12(2)3/h12,18,20H,5-11H2,1-4H3
InChIKeyOIEWJSBYBGOAKS-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-Difluoro-5-(propan-2-ylamino)pentan-1-ol
CID 147787502
5-(Tert-butylamino)-3,3-difluoropentan-1-ol
CID 153299938
3,3-Difluoro-5-(propan-2-ylamino)pentan-1-ol;ethane;molecular hydrogen
CID 153623241
3,3-Difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol
CID 155451240
4,4-Difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol
CID 167099786
2-[Methyl-[5,5,5-trifluoro-4-methyl-3-(methylamino)pentyl]amino]ethanol
CID 172334686
2-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045280
2,4-Dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045283
4-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045848
2-(2,2-Difluoroethylamino)-4-methylpentan-1-ol
CID 61246577
4-Methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol
CID 61247005
4,4-Dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 62950063

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (CID 64825298) is 2-methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is CCCN(CCCC(C)(CO)NC(C)C)CC(F)(F)F.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The InChIKey is OIEWJSBYBGOAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2O/c1-5-8-19(10-14(15,16)17)9-6-7-13(4,11-20)18-12(2)3/h12,18,20H,5-11H2,1-4H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
2-methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol has a molecular weight of 298.39 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is sourced from PubChem (CID 64825298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).