2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine

C14H26F3NO2 — CID 62718860

IUPAC2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C14H26F3NO2/c1-12(2)8-18-9-13(5-7-20-10-13)4-3-6-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyJKCNJLPENNVONZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.00
Rot. Bonds9

About 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine

2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62718860) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID62718860
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC Name2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C14H26F3NO2/c1-12(2)8-18-9-13(5-7-20-10-13)4-3-6-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyJKCNJLPENNVONZ-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine (CID 62718860) is 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine is CC(C)CNCC1(CCCOCC(F)(F)F)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is JKCNJLPENNVONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-12(2)8-18-9-13(5-7-20-10-13)4-3-6-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3.
What are the key properties of 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 297.36 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62718860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).