4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine

C10H19F3N2O — CID 114998337

IUPAC4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
SMILESCCN(CC(F)(F)F)C1(CN)CCOCC1
InChIInChI=1S/C10H19F3N2O/c1-2-15(8-10(11,12)13)9(7-14)3-5-16-6-4-9/h2-8,14H2,1H3
InChIKeyZHQUYEVJJFHXEW-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds4

About 4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine

4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine (PubChem CID 114998337) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
PubChem CID114998337
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
SMILESCCN(CC(F)(F)F)C1(CN)CCOCC1
InChIInChI=1S/C10H19F3N2O/c1-2-15(8-10(11,12)13)9(7-14)3-5-16-6-4-9/h2-8,14H2,1H3
InChIKeyZHQUYEVJJFHXEW-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine (CID 114998337) is 4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine is CCN(CC(F)(F)F)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The InChIKey is ZHQUYEVJJFHXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-2-15(8-10(11,12)13)9(7-14)3-5-16-6-4-9/h2-8,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine is sourced from PubChem (CID 114998337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).