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

C14H27F3N2O — CID 107486770

IUPAC2-[[1-(propylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNCC1(CN(CCO)CC(F)(F)F)CCCC1
InChIInChI=1S/C14H27F3N2O/c1-2-7-18-10-13(5-3-4-6-13)11-19(8-9-20)12-14(15,16)17/h18,20H,2-12H2,1H3
InChIKeyGEGCLMXZDWWXBH-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.40
Rot. Bonds9

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

2-[[1-(propylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486770) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[[1-(propylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[1-(propylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486770
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2-[[1-(propylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNCC1(CN(CCO)CC(F)(F)F)CCCC1
InChIInChI=1S/C14H27F3N2O/c1-2-7-18-10-13(5-3-4-6-13)11-19(8-9-20)12-14(15,16)17/h18,20H,2-12H2,1H3
InChIKeyGEGCLMXZDWWXBH-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(propylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[1-(propylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486770) is 2-[[1-(propylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[1-(propylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[1-(propylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is CCCNCC1(CN(CCO)CC(F)(F)F)CCCC1.
What is the InChIKey of 2-[[1-(propylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is GEGCLMXZDWWXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-2-7-18-10-13(5-3-4-6-13)11-19(8-9-20)12-14(15,16)17/h18,20H,2-12H2,1H3.
What are the key properties of 2-[[1-(propylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[1-(propylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 296.38 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(propylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).