N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C12H23F3N2O — CID 55242045

IUPACN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CC(F)(F)F)CC1(CN)CCCOC1
InChIInChI=1S/C12H23F3N2O/c1-10(2)17(8-12(13,14)15)7-11(6-16)4-3-5-18-9-11/h10H,3-9,16H2,1-2H3
InChIKeyRTKOWSXUQGKMKM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.01
Rot. Bonds5

About N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 55242045) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID55242045
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CC(F)(F)F)CC1(CN)CCCOC1
InChIInChI=1S/C12H23F3N2O/c1-10(2)17(8-12(13,14)15)7-11(6-16)4-3-5-18-9-11/h10H,3-9,16H2,1-2H3
InChIKeyRTKOWSXUQGKMKM-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 55242045) is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(CC(F)(F)F)CC1(CN)CCCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is RTKOWSXUQGKMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10(2)17(8-12(13,14)15)7-11(6-16)4-3-5-18-9-11/h10H,3-9,16H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 55242045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).