2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol

C12H25F3N2O — CID 64826092

IUPAC2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCCCN(CC(F)(F)F)C(C)CC(C)(CO)NC
InChIInChI=1S/C12H25F3N2O/c1-5-6-17(8-12(13,14)15)10(2)7-11(3,9-18)16-4/h10,16,18H,5-9H2,1-4H3
InChIKeyOPUZFEVVUGQJDC-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.01
Rot. Bonds8

About 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol

2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (PubChem CID 64826092) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
PubChem CID64826092
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCCCN(CC(F)(F)F)C(C)CC(C)(CO)NC
InChIInChI=1S/C12H25F3N2O/c1-5-6-17(8-12(13,14)15)10(2)7-11(3,9-18)16-4/h10,16,18H,5-9H2,1-4H3
InChIKeyOPUZFEVVUGQJDC-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3,3-Difluoro-1-(propan-2-ylamino)cyclobutyl]methanol
CID 146476194
2-[Methyl-[5,5,5-trifluoro-4-methyl-3-(methylamino)pentyl]amino]ethanol
CID 172334686
2-Propyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61044740
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
[1-Propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61046015
[1-Ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61046380
[1-Propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61046566
[1-Methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61047127
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (CID 64826092) is 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is CCCN(CC(F)(F)F)C(C)CC(C)(CO)NC.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The InChIKey is OPUZFEVVUGQJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-5-6-17(8-12(13,14)15)10(2)7-11(3,9-18)16-4/h10,16,18H,5-9H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol has a molecular weight of 270.34 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is sourced from PubChem (CID 64826092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).