N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine

C15H30F3NO — CID 59203960

IUPACN-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine
SMILESCCCCN(CCCC)CCOC(C(C)C)C(F)(F)F
InChIInChI=1S/C15H30F3NO/c1-5-7-9-19(10-8-6-2)11-12-20-14(13(3)4)15(16,17)18/h13-14H,5-12H2,1-4H3
InChIKeyAMLAYKWASOCEMB-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.49
Rot. Bonds11

About N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine

N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine (PubChem CID 59203960) has the molecular formula C15H30F3NO and a molecular weight of 297.40 g/mol. Its IUPAC name is N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine
PubChem CID59203960
Molecular FormulaC15H30F3NO
Molecular Weight297.40 g/mol
Exact Mass297.23
IUPAC NameN-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine
SMILESCCCCN(CCCC)CCOC(C(C)C)C(F)(F)F
InChIInChI=1S/C15H30F3NO/c1-5-7-9-19(10-8-6-2)11-12-20-14(13(3)4)15(16,17)18/h13-14H,5-12H2,1-4H3
InChIKeyAMLAYKWASOCEMB-UHFFFAOYSA-N
XLogP4.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-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 N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine?
The IUPAC name of N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine (CID 59203960) is N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine is CCCCN(CCCC)CCOC(C(C)C)C(F)(F)F.
What is the InChIKey of N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine?
The InChIKey is AMLAYKWASOCEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO/c1-5-7-9-19(10-8-6-2)11-12-20-14(13(3)4)15(16,17)18/h13-14H,5-12H2,1-4H3.
What are the key properties of N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine?
N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine is sourced from PubChem (CID 59203960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).