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

C15H29F3N2O — CID 62428402

IUPAC2-methyl-N-[[5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC(CN(CC(F)(F)F)C(C)C)O1
InChIInChI=1S/C15H29F3N2O/c1-11(2)7-19-8-13-5-6-14(21-13)9-20(12(3)4)10-15(16,17)18/h11-14,19H,5-10H2,1-4H3
InChIKeyNVYDIGXNYSGPHB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.05
Rot. Bonds8

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

2-methyl-N-[[5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62428402) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-N-[[5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID62428402
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name2-methyl-N-[[5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC(CN(CC(F)(F)F)C(C)C)O1
InChIInChI=1S/C15H29F3N2O/c1-11(2)7-19-8-13-5-6-14(21-13)9-20(12(3)4)10-15(16,17)18/h11-14,19H,5-10H2,1-4H3
InChIKeyNVYDIGXNYSGPHB-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine (CID 62428402) is 2-methyl-N-[[5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine is CC(C)CNCC1CCC(CN(CC(F)(F)F)C(C)C)O1.
What is the InChIKey of 2-methyl-N-[[5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is NVYDIGXNYSGPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-11(2)7-19-8-13-5-6-14(21-13)9-20(12(3)4)10-15(16,17)18/h11-14,19H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[[propan-2-yl(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, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62428402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).