N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

C15H26F3NO2 — CID 106706219

IUPACN-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(COCC(F)(F)F)CCOC1C1CC1
InChIInChI=1S/C15H26F3NO2/c1-13(2,3)19-8-14(9-20-10-15(16,17)18)6-7-21-12(14)11-4-5-11/h11-12,19H,4-10H2,1-3H3
InChIKeyVAYUGBGNKJTRDN-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.14
Rot. Bonds6

About N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 106706219) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID106706219
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC NameN-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(COCC(F)(F)F)CCOC1C1CC1
InChIInChI=1S/C15H26F3NO2/c1-13(2,3)19-8-14(9-20-10-15(16,17)18)6-7-21-12(14)11-4-5-11/h11-12,19H,4-10H2,1-3H3
InChIKeyVAYUGBGNKJTRDN-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 106706219) is N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(COCC(F)(F)F)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VAYUGBGNKJTRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-13(2,3)19-8-14(9-20-10-15(16,17)18)6-7-21-12(14)11-4-5-11/h11-12,19H,4-10H2,1-3H3.
What are the key properties of N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 309.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106706219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).