3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H22F3NO — CID 129140803

IUPAC3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCC(C)(CC)OCCCNCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-10(3,5-2)16-8-6-7-15-9-11(12,13)14/h15H,4-9H2,1-3H3
InChIKeyUIFCNMGTVUTZLO-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds8

About 3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 129140803) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID129140803
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCC(C)(CC)OCCCNCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-10(3,5-2)16-8-6-7-15-9-11(12,13)14/h15H,4-9H2,1-3H3
InChIKeyUIFCNMGTVUTZLO-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 129140803) is 3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is CCC(C)(CC)OCCCNCC(F)(F)F.
What is the InChIKey of 3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is UIFCNMGTVUTZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-10(3,5-2)16-8-6-7-15-9-11(12,13)14/h15H,4-9H2,1-3H3.
What are the key properties of 3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 129140803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).