N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine

C15H29F3N2O — CID 62391149

IUPACN-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC(F)(F)F)CC1(CNCC(C)C)CCOCC1
InChIInChI=1S/C15H29F3N2O/c1-4-20(12-15(16,17)18)11-14(5-7-21-8-6-14)10-19-9-13(2)3/h13,19H,4-12H2,1-3H3
InChIKeyCHZAIMFYWOGSBG-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.91
Rot. Bonds8

About N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine

N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62391149) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID62391149
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC NameN-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC(F)(F)F)CC1(CNCC(C)C)CCOCC1
InChIInChI=1S/C15H29F3N2O/c1-4-20(12-15(16,17)18)11-14(5-7-21-8-6-14)10-19-9-13(2)3/h13,19H,4-12H2,1-3H3
InChIKeyCHZAIMFYWOGSBG-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine (CID 62391149) is N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine is CCN(CC(F)(F)F)CC1(CNCC(C)C)CCOCC1.
What is the InChIKey of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is CHZAIMFYWOGSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-4-20(12-15(16,17)18)11-14(5-7-21-8-6-14)10-19-9-13(2)3/h13,19H,4-12H2,1-3H3.
What are the key properties of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 310.40 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62391149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).