2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine

C12H24F3N — CID 115518505

IUPAC2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine
SMILESCCCCC(CC)CNCCCC(F)(F)F
InChIInChI=1S/C12H24F3N/c1-3-5-7-11(4-2)10-16-9-6-8-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyMXJZOJGURNLTIJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.13
Rot. Bonds9

About 2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine

2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine (PubChem CID 115518505) has the molecular formula C12H24F3N and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine
PubChem CID115518505
Molecular FormulaC12H24F3N
Molecular Weight239.32 g/mol
Exact Mass239.19
IUPAC Name2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine
SMILESCCCCC(CC)CNCCCC(F)(F)F
InChIInChI=1S/C12H24F3N/c1-3-5-7-11(4-2)10-16-9-6-8-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyMXJZOJGURNLTIJ-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-pentylhexan-1-amine
CID 43081963
N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
CID 59929730
N-(4-chloropentyl)-2-ethylhexan-1-amine
CID 106121824
N,2-diethylhexan-1-amine
CID 14272988
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
N-butyl-2-ethylpentane-1,5-diamine
CID 174821174
3-N-(2-ethylhexyl)propane-1,1,3-triamine
CID 142717096
N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine
CID 107815978
3-propyl-N'-(4,4,4-trifluorobutyl)hexane-1,6-diamine
CID 115520156
6-ethyl-1,1,1-trifluoro-N-propyldecan-4-amine
CID 79964664
N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine
CID 114004218
2-(butylaminomethyl)butane-1-thiol
CID 142660120

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine (CID 115518505) is 2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine is CCCCC(CC)CNCCCC(F)(F)F.
What is the InChIKey of 2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine?
The InChIKey is MXJZOJGURNLTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N/c1-3-5-7-11(4-2)10-16-9-6-8-12(13,14)15/h11,16H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine?
2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine is sourced from PubChem (CID 115518505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).