3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine

C11H21F3N2O — CID 79928197

IUPAC3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine
SMILESCC1(C)CC(CN)(NCC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C11H21F3N2O/c1-8(2)5-10(6-15,9(3,4)17-8)16-7-11(12,13)14/h16H,5-7,15H2,1-4H3
InChIKeyCHLNHOPWTPWLFC-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.81
Rot. Bonds3

About 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine

3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine (PubChem CID 79928197) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine
PubChem CID79928197
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine
SMILESCC1(C)CC(CN)(NCC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C11H21F3N2O/c1-8(2)5-10(6-15,9(3,4)17-8)16-7-11(12,13)14/h16H,5-7,15H2,1-4H3
InChIKeyCHLNHOPWTPWLFC-UHFFFAOYSA-N
XLogP1.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine (CID 79928197) is 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine is CC1(C)CC(CN)(NCC(F)(F)F)C(C)(C)O1.
What is the InChIKey of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine?
The InChIKey is CHLNHOPWTPWLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8(2)5-10(6-15,9(3,4)17-8)16-7-11(12,13)14/h16H,5-7,15H2,1-4H3.
What are the key properties of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine?
3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine has a molecular weight of 254.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine is sourced from PubChem (CID 79928197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).