2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

C15H29F3N2O — CID 107486979

IUPAC2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(C)NCC1(CN(CCO)CC(F)(F)F)CCCC1
InChIInChI=1S/C15H29F3N2O/c1-13(2,3)19-10-14(6-4-5-7-14)11-20(8-9-21)12-15(16,17)18/h19,21H,4-12H2,1-3H3
InChIKeyJKRUXVGRVPBPNL-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.79
Rot. Bonds7

About 2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486979) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486979
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(C)NCC1(CN(CCO)CC(F)(F)F)CCCC1
InChIInChI=1S/C15H29F3N2O/c1-13(2,3)19-10-14(6-4-5-7-14)11-20(8-9-21)12-15(16,17)18/h19,21H,4-12H2,1-3H3
InChIKeyJKRUXVGRVPBPNL-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

2-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486890
2-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486906
2-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl-methylamino]ethanol
CID 62257930
2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486759
[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol
CID 62271295
[1-[(tert-butylamino)methyl]cyclopentyl]methanol
CID 154955274
3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
CID 62271713
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486899
2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62255853
N-[[1-[[bis(prop-2-enyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 62264243
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 65010133
N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63692305

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486979) is 2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is CC(C)(C)NCC1(CN(CCO)CC(F)(F)F)CCCC1.
What is the InChIKey of 2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is JKRUXVGRVPBPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-13(2,3)19-10-14(6-4-5-7-14)11-20(8-9-21)12-15(16,17)18/h19,21H,4-12H2,1-3H3.
What are the key properties of 2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 310.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).