3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine

C12H24F3N — CID 91347812

IUPAC3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
SMILESCCCC(C)C(CCC)CNCC(F)(F)F
InChIInChI=1S/C12H24F3N/c1-4-6-10(3)11(7-5-2)8-16-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyWKPUHCDTQWDXEU-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.99
Rot. Bonds8

About 3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine

3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine (PubChem CID 91347812) has the molecular formula C12H24F3N and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine.

Molecular Properties

Compound Name3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
PubChem CID91347812
Molecular FormulaC12H24F3N
Molecular Weight239.32 g/mol
Exact Mass239.19
IUPAC Name3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
SMILESCCCC(C)C(CCC)CNCC(F)(F)F
InChIInChI=1S/C12H24F3N/c1-4-6-10(3)11(7-5-2)8-16-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyWKPUHCDTQWDXEU-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine?
The IUPAC name of 3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine (CID 91347812) is 3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine.
What is the SMILES notation for 3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine?
The canonical SMILES for 3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine is CCCC(C)C(CCC)CNCC(F)(F)F.
What is the InChIKey of 3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine?
The InChIKey is WKPUHCDTQWDXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N/c1-4-6-10(3)11(7-5-2)8-16-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine?
3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine is sourced from PubChem (CID 91347812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).