2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine

C15H29F3N2O — CID 62426303

IUPAC2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCN(CC1CCC(CNCC(C)C)O1)CC(F)(F)F
InChIInChI=1S/C15H29F3N2O/c1-4-7-20(11-15(16,17)18)10-14-6-5-13(21-14)9-19-8-12(2)3/h12-14,19H,4-11H2,1-3H3
InChIKeyMVAXJHPHGQHRIH-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.05
Rot. Bonds9

About 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62426303) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID62426303
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCN(CC1CCC(CNCC(C)C)O1)CC(F)(F)F
InChIInChI=1S/C15H29F3N2O/c1-4-7-20(11-15(16,17)18)10-14-6-5-13(21-14)9-19-8-12(2)3/h12-14,19H,4-11H2,1-3H3
InChIKeyMVAXJHPHGQHRIH-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

[(4,4-Difluorooxolan-2-yl)methyl](methyl)amine
CID 177808931
2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine
CID 163758359
4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 171415811
(2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 176724696
2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 28595890
2,2,2-trifluoro-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 28595892
2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine
CID 43180191
2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine
CID 45283132
(2,2-Difluoroethyl)(oxolan-2-ylmethyl)amine
CID 50896650
2,2-difluoro-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 51891279
2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 51891281
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55073725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine (CID 62426303) is 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine is CCCN(CC1CCC(CNCC(C)C)O1)CC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is MVAXJHPHGQHRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-4-7-20(11-15(16,17)18)10-14-6-5-13(21-14)9-19-8-12(2)3/h12-14,19H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 310.40 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62426303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).