4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine

C15H30F3NO — CID 62528716

IUPAC4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
SMILESCC(C)CNCC(CCCOCC(F)(F)F)CC(C)C
InChIInChI=1S/C15H30F3NO/c1-12(2)8-14(10-19-9-13(3)4)6-5-7-20-11-15(16,17)18/h12-14,19H,5-11H2,1-4H3
InChIKeyPISGDMHTACDOFM-UHFFFAOYSA-N
MW297.41 g/mol
LogP4.25
Rot. Bonds11

About 4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine

4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine (PubChem CID 62528716) has the molecular formula C15H30F3NO and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
PubChem CID62528716
Molecular FormulaC15H30F3NO
Molecular Weight297.41 g/mol
Exact Mass297.23
IUPAC Name4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
SMILESCC(C)CNCC(CCCOCC(F)(F)F)CC(C)C
InChIInChI=1S/C15H30F3NO/c1-12(2)8-14(10-19-9-13(3)4)6-5-7-20-11-15(16,17)18/h12-14,19H,5-11H2,1-4H3
InChIKeyPISGDMHTACDOFM-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine (CID 62528716) is 4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine is CC(C)CNCC(CCCOCC(F)(F)F)CC(C)C.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The InChIKey is PISGDMHTACDOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO/c1-12(2)8-14(10-19-9-13(3)4)6-5-7-20-11-15(16,17)18/h12-14,19H,5-11H2,1-4H3.
What are the key properties of 4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine has a molecular weight of 297.41 g/mol, XLogP of 4.25, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine is sourced from PubChem (CID 62528716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).