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

C10H19F3N2O — CID 65378225

IUPAC4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
SMILESCC1(C)CC(CN)(NCC(F)(F)F)CCO1
InChIInChI=1S/C10H19F3N2O/c1-8(2)5-9(6-14,3-4-16-8)15-7-10(11,12)13/h15H,3-7,14H2,1-2H3
InChIKeyNMZVHUMDEAERQT-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.42
Rot. Bonds3

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

4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine (PubChem CID 65378225) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
PubChem CID65378225
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
SMILESCC1(C)CC(CN)(NCC(F)(F)F)CCO1
InChIInChI=1S/C10H19F3N2O/c1-8(2)5-9(6-14,3-4-16-8)15-7-10(11,12)13/h15H,3-7,14H2,1-2H3
InChIKeyNMZVHUMDEAERQT-UHFFFAOYSA-N
XLogP1.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine (CID 65378225) is 4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine is CC1(C)CC(CN)(NCC(F)(F)F)CCO1.
What is the InChIKey of 4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The InChIKey is NMZVHUMDEAERQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-8(2)5-9(6-14,3-4-16-8)15-7-10(11,12)13/h15H,3-7,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine has a molecular weight of 240.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine is sourced from PubChem (CID 65378225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).