2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H21F3N2O — CID 55142497

IUPAC2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC1CN(C(C)CNCC(F)(F)F)CCCO1
InChIInChI=1S/C11H21F3N2O/c1-9(6-15-8-11(12,13)14)16-4-3-5-17-10(2)7-16/h9-10,15H,3-8H2,1-2H3
InChIKeyPLFGGKINYOXEIJ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds4

About 2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55142497) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55142497
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC1CN(C(C)CNCC(F)(F)F)CCCO1
InChIInChI=1S/C11H21F3N2O/c1-9(6-15-8-11(12,13)14)16-4-3-5-17-10(2)7-16/h9-10,15H,3-8H2,1-2H3
InChIKeyPLFGGKINYOXEIJ-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55142497) is 2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC1CN(C(C)CNCC(F)(F)F)CCCO1.
What is the InChIKey of 2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is PLFGGKINYOXEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(6-15-8-11(12,13)14)16-4-3-5-17-10(2)7-16/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 55142497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).