N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine

C14H27F3N2O — CID 62426631

IUPACN-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(CC1CCC(CNC(C)(C)C)O1)CC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-5-19(10-14(15,16)17)9-12-7-6-11(20-12)8-18-13(2,3)4/h11-12,18H,5-10H2,1-4H3
InChIKeyRKDWTGZFUDUIFR-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.81
Rot. Bonds6

About N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62426631) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62426631
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC NameN-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(CC1CCC(CNC(C)(C)C)O1)CC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-5-19(10-14(15,16)17)9-12-7-6-11(20-12)8-18-13(2,3)4/h11-12,18H,5-10H2,1-4H3
InChIKeyRKDWTGZFUDUIFR-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine (CID 62426631) is N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine is CCN(CC1CCC(CNC(C)(C)C)O1)CC(F)(F)F.
What is the InChIKey of N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RKDWTGZFUDUIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-5-19(10-14(15,16)17)9-12-7-6-11(20-12)8-18-13(2,3)4/h11-12,18H,5-10H2,1-4H3.
What are the key properties of N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 296.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62426631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).