4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine

C10H20F3NO — CID 63226548

IUPAC4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(7-9(2,3)15-4)14-6-5-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyHSUIWPPCLWPMDQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds6

About 4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine

4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine (PubChem CID 63226548) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
PubChem CID63226548
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(7-9(2,3)15-4)14-6-5-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyHSUIWPPCLWPMDQ-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine (CID 63226548) is 4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine is COC(C)(C)CC(C)NCCC(F)(F)F.
What is the InChIKey of 4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine?
The InChIKey is HSUIWPPCLWPMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-8(7-9(2,3)15-4)14-6-5-10(11,12)13/h8,14H,5-7H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine?
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine is sourced from PubChem (CID 63226548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).