N-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine

C15H29F3N2O — CID 79914542

IUPACN-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine
SMILESCCNC1C(CN(C)CCC(F)(F)F)C(C)(C)OC1(C)C
InChIInChI=1S/C15H29F3N2O/c1-7-19-12-11(13(2,3)21-14(12,4)5)10-20(6)9-8-15(16,17)18/h11-12,19H,7-10H2,1-6H3
InChIKeyWSIZDNSOXWXDDN-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.05
Rot. Bonds6

About N-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine

N-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine (PubChem CID 79914542) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine
PubChem CID79914542
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC NameN-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine
SMILESCCNC1C(CN(C)CCC(F)(F)F)C(C)(C)OC1(C)C
InChIInChI=1S/C15H29F3N2O/c1-7-19-12-11(13(2,3)21-14(12,4)5)10-20(6)9-8-15(16,17)18/h11-12,19H,7-10H2,1-6H3
InChIKeyWSIZDNSOXWXDDN-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 N-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine?
The IUPAC name of N-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine (CID 79914542) is N-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for N-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine is CCNC1C(CN(C)CCC(F)(F)F)C(C)(C)OC1(C)C.
What is the InChIKey of N-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine?
The InChIKey is WSIZDNSOXWXDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-7-19-12-11(13(2,3)21-14(12,4)5)10-20(6)9-8-15(16,17)18/h11-12,19H,7-10H2,1-6H3.
What are the key properties of N-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine?
N-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine has a molecular weight of 310.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 79914542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).