N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C13H25F3N2O — CID 55073725

IUPACN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC1CCC(CNCC)O1)CC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-3-7-18(10-13(14,15)16)9-12-6-5-11(19-12)8-17-4-2/h11-12,17H,3-10H2,1-2H3
InChIKeyCOCFODFJGJNXRV-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.42
Rot. Bonds8

About N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55073725) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55073725
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC1CCC(CNCC)O1)CC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-3-7-18(10-13(14,15)16)9-12-6-5-11(19-12)8-17-4-2/h11-12,17H,3-10H2,1-2H3
InChIKeyCOCFODFJGJNXRV-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55073725) is N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CC1CCC(CNCC)O1)CC(F)(F)F.
What is the InChIKey of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is COCFODFJGJNXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-7-18(10-13(14,15)16)9-12-6-5-11(19-12)8-17-4-2/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 55073725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).