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

C12H23F3N2O — CID 62427274

IUPACN-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(CN(C)CC(F)(F)F)O1
InChIInChI=1S/C12H23F3N2O/c1-9(2)16-6-10-4-5-11(18-10)7-17(3)8-12(13,14)15/h9-11,16H,4-8H2,1-3H3
InChIKeyHWUZGPBPIWIOGZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds6

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

N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine (PubChem CID 62427274) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
PubChem CID62427274
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(CN(C)CC(F)(F)F)O1
InChIInChI=1S/C12H23F3N2O/c1-9(2)16-6-10-4-5-11(18-10)7-17(3)8-12(13,14)15/h9-11,16H,4-8H2,1-3H3
InChIKeyHWUZGPBPIWIOGZ-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine (CID 62427274) is N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine is CC(C)NCC1CCC(CN(C)CC(F)(F)F)O1.
What is the InChIKey of N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is HWUZGPBPIWIOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-9(2)16-6-10-4-5-11(18-10)7-17(3)8-12(13,14)15/h9-11,16H,4-8H2,1-3H3.
What are the key properties of N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine?
N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62427274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).