N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine

C12H24F3N — CID 105024244

IUPACN-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine
SMILESCCCC(C)C(CCCC(F)(F)F)NCC
InChIInChI=1S/C12H24F3N/c1-4-7-10(3)11(16-5-2)8-6-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyDBRRINDGLGDEKJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.13
Rot. Bonds8

About N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine

N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine (PubChem CID 105024244) has the molecular formula C12H24F3N and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine
PubChem CID105024244
Molecular FormulaC12H24F3N
Molecular Weight239.32 g/mol
Exact Mass239.19
IUPAC NameN-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine
SMILESCCCC(C)C(CCCC(F)(F)F)NCC
InChIInChI=1S/C12H24F3N/c1-4-7-10(3)11(16-5-2)8-6-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyDBRRINDGLGDEKJ-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine
CID 115516397
(4S)-N-ethyl-5-methylnonan-4-amine
CID 138564824
N-ethyl-4-methyldec-9-en-5-amine
CID 104987082
N-ethyl-5-methyltridecan-6-amine
CID 114246331
N-ethyl-1,1,1-trifluoroheptan-4-amine
CID 64567008
N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine
CID 107893604
N-ethyl-2,5-dimethyloct-1-en-4-amine
CID 105004257
1-cyclopentyl-N-ethyl-4-methylheptan-3-amine
CID 107893474
N-ethyl-1,1,1-trifluorooctan-4-amine
CID 79404596
4-methyl-N-propyldecan-5-amine
CID 115837654
8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
CID 115516392
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine (CID 105024244) is N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine is CCCC(C)C(CCCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine?
The InChIKey is DBRRINDGLGDEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N/c1-4-7-10(3)11(16-5-2)8-6-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine?
N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine has a molecular weight of 239.32 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine is sourced from PubChem (CID 105024244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).