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

C15H30F3NO — CID 129276996

IUPAC3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCCCCC(C)(CC)OCCCNCC(F)(F)F
InChIInChI=1S/C15H30F3NO/c1-4-6-7-8-10-14(3,5-2)20-12-9-11-19-13-15(16,17)18/h19H,4-13H2,1-3H3
InChIKeyOVGCNNYZARGAKV-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.68
Rot. Bonds12

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

3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 129276996) has the molecular formula C15H30F3NO and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID129276996
Molecular FormulaC15H30F3NO
Molecular Weight297.40 g/mol
Exact Mass297.23
IUPAC Name3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCCCCC(C)(CC)OCCCNCC(F)(F)F
InChIInChI=1S/C15H30F3NO/c1-4-6-7-8-10-14(3,5-2)20-12-9-11-19-13-15(16,17)18/h19H,4-13H2,1-3H3
InChIKeyOVGCNNYZARGAKV-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-methylnonan-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-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 129276996) is 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCCCCC(C)(CC)OCCCNCC(F)(F)F.
What is the InChIKey of 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is OVGCNNYZARGAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO/c1-4-6-7-8-10-14(3,5-2)20-12-9-11-19-13-15(16,17)18/h19H,4-13H2,1-3H3.
What are the key properties of 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 4.68, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 129276996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).