N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

C12H23F3N2O — CID 66258382

IUPACN-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCCCN(CC1COCC1NCC)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-3-5-17(9-12(13,14)15)6-10-7-18-8-11(10)16-4-2/h10-11,16H,3-9H2,1-2H3
InChIKeyAMTWKTQZUJGMPG-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds7

About N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (PubChem CID 66258382) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
PubChem CID66258382
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCCCN(CC1COCC1NCC)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-3-5-17(9-12(13,14)15)6-10-7-18-8-11(10)16-4-2/h10-11,16H,3-9H2,1-2H3
InChIKeyAMTWKTQZUJGMPG-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (CID 66258382) is N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is CCCN(CC1COCC1NCC)CC(F)(F)F.
What is the InChIKey of N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The InChIKey is AMTWKTQZUJGMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-3-5-17(9-12(13,14)15)6-10-7-18-8-11(10)16-4-2/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66258382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).