N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C12H23F3N2O — CID 55056562

IUPACN-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCNCC1(CN(CC(F)(F)F)C(C)C)CCOC1
InChIInChI=1S/C12H23F3N2O/c1-10(2)17(8-12(13,14)15)7-11(6-16-3)4-5-18-9-11/h10,16H,4-9H2,1-3H3
InChIKeyUSFTWGVIIKYYMZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds6

About N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 55056562) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID55056562
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCNCC1(CN(CC(F)(F)F)C(C)C)CCOC1
InChIInChI=1S/C12H23F3N2O/c1-10(2)17(8-12(13,14)15)7-11(6-16-3)4-5-18-9-11/h10,16H,4-9H2,1-3H3
InChIKeyUSFTWGVIIKYYMZ-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 55056562) is N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CNCC1(CN(CC(F)(F)F)C(C)C)CCOC1.
What is the InChIKey of N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is USFTWGVIIKYYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10(2)17(8-12(13,14)15)7-11(6-16-3)4-5-18-9-11/h10,16H,4-9H2,1-3H3.
What are the key properties of N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 55056562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).