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

C15H29F3N2O — CID 62392201

IUPACN-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(CCC)CC(F)(F)F)CCOCC1
InChIInChI=1S/C15H29F3N2O/c1-3-7-19-11-14(5-9-21-10-6-14)12-20(8-4-2)13-15(16,17)18/h19H,3-13H2,1-2H3
InChIKeyAGHWYXWEBQJEST-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.06
Rot. Bonds9

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

N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 62392201) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID62392201
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC NameN-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(CCC)CC(F)(F)F)CCOCC1
InChIInChI=1S/C15H29F3N2O/c1-3-7-19-11-14(5-9-21-10-6-14)12-20(8-4-2)13-15(16,17)18/h19H,3-13H2,1-2H3
InChIKeyAGHWYXWEBQJEST-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.06
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-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (CID 62392201) is N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is CCCNCC1(CN(CCC)CC(F)(F)F)CCOCC1.
What is the InChIKey of N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is AGHWYXWEBQJEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-3-7-19-11-14(5-9-21-10-6-14)12-20(8-4-2)13-15(16,17)18/h19H,3-13H2,1-2H3.
What are the key properties of N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 310.40 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62392201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).