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

C15H29F3N2O — CID 62426302

IUPAC2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCCCN(CC1CCC(CNC(C)(C)C)O1)CC(F)(F)F
InChIInChI=1S/C15H29F3N2O/c1-5-8-20(11-15(16,17)18)10-13-7-6-12(21-13)9-19-14(2,3)4/h12-13,19H,5-11H2,1-4H3
InChIKeyHBJUOUDCNTXOJI-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.20
Rot. Bonds7

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

2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine (PubChem CID 62426302) 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-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
PubChem CID62426302
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-2-amine
SMILESCCCN(CC1CCC(CNC(C)(C)C)O1)CC(F)(F)F
InChIInChI=1S/C15H29F3N2O/c1-5-8-20(11-15(16,17)18)10-13-7-6-12(21-13)9-19-14(2,3)4/h12-13,19H,5-11H2,1-4H3
InChIKeyHBJUOUDCNTXOJI-UHFFFAOYSA-N
XLogP3.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.20
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-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine (CID 62426302) is 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine is CCCN(CC1CCC(CNC(C)(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-2-amine?
The InChIKey is HBJUOUDCNTXOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-5-8-20(11-15(16,17)18)10-13-7-6-12(21-13)9-19-14(2,3)4/h12-13,19H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 310.40 g/mol, XLogP of 3.20, 7 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-2-amine is sourced from PubChem (CID 62426302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).