3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine

C14H27F3N2O — CID 103059103

IUPAC3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H27F3N2O/c1-4-6-18-13-5-7-20-9-12(13)8-19(11(2)3)10-14(15,16)17/h11-13,18H,4-10H2,1-3H3
InChIKeyAHSXQBXKVNJKQV-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.66
Rot. Bonds7

About 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine

3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine (PubChem CID 103059103) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine
PubChem CID103059103
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H27F3N2O/c1-4-6-18-13-5-7-20-9-12(13)8-19(11(2)3)10-14(15,16)17/h11-13,18H,4-10H2,1-3H3
InChIKeyAHSXQBXKVNJKQV-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine?
The IUPAC name of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine (CID 103059103) is 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine.
What is the SMILES notation for 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine?
The canonical SMILES for 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine is CCCNC1CCOCC1CN(CC(F)(F)F)C(C)C.
What is the InChIKey of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine?
The InChIKey is AHSXQBXKVNJKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-4-6-18-13-5-7-20-9-12(13)8-19(11(2)3)10-14(15,16)17/h11-13,18H,4-10H2,1-3H3.
What are the key properties of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine?
3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine has a molecular weight of 296.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine is sourced from PubChem (CID 103059103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).