N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine

C15H29F3N2O — CID 62390621

IUPACN-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(CC(F)(F)F)C(C)C)CCOCC1
InChIInChI=1S/C15H29F3N2O/c1-12(2)19-9-14(5-7-21-8-6-14)10-20(13(3)4)11-15(16,17)18/h12-13,19H,5-11H2,1-4H3
InChIKeyOMQSCKCZARZAQE-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.05
Rot. Bonds7

About N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine

N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine (PubChem CID 62390621) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
PubChem CID62390621
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC NameN-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(CC(F)(F)F)C(C)C)CCOCC1
InChIInChI=1S/C15H29F3N2O/c1-12(2)19-9-14(5-7-21-8-6-14)10-20(13(3)4)11-15(16,17)18/h12-13,19H,5-11H2,1-4H3
InChIKeyOMQSCKCZARZAQE-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine (CID 62390621) is N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine is CC(C)NCC1(CN(CC(F)(F)F)C(C)C)CCOCC1.
What is the InChIKey of N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The InChIKey is OMQSCKCZARZAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-12(2)19-9-14(5-7-21-8-6-14)10-20(13(3)4)11-15(16,17)18/h12-13,19H,5-11H2,1-4H3.
What are the key properties of N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine has a molecular weight of 310.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62390621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).