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

C13H25F3N2O — CID 55066332

IUPACN-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)CC(F)(F)F)CCOCC1
InChIInChI=1S/C13H25F3N2O/c1-3-6-17-9-12(4-7-19-8-5-12)10-18(2)11-13(14,15)16/h17H,3-11H2,1-2H3
InChIKeyVPABHNFALCJHKT-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds7

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

N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 55066332) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID55066332
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)CC(F)(F)F)CCOCC1
InChIInChI=1S/C13H25F3N2O/c1-3-6-17-9-12(4-7-19-8-5-12)10-18(2)11-13(14,15)16/h17H,3-11H2,1-2H3
InChIKeyVPABHNFALCJHKT-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.28
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 N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (CID 55066332) is N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is CCCNCC1(CN(C)CC(F)(F)F)CCOCC1.
What is the InChIKey of N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is VPABHNFALCJHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-6-17-9-12(4-7-19-8-5-12)10-18(2)11-13(14,15)16/h17H,3-11H2,1-2H3.
What are the key properties of N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 55066332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).