3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine

C13H22F3N — CID 123881219

IUPAC3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine
SMILESCCC(C)C(F)(F)C(C(F)=CCNC)=C(C)C
InChIInChI=1S/C13H22F3N/c1-6-10(4)13(15,16)12(9(2)3)11(14)7-8-17-5/h7,10,17H,6,8H2,1-5H3
InChIKeyIIVUIGRHVAXAQA-UHFFFAOYSA-N
MW249.32 g/mol
LogP4.08
Rot. Bonds6

About 3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine

3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine (PubChem CID 123881219) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is 3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine.

Molecular Properties

Compound Name3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine
PubChem CID123881219
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine
SMILESCCC(C)C(F)(F)C(C(F)=CCNC)=C(C)C
InChIInChI=1S/C13H22F3N/c1-6-10(4)13(15,16)12(9(2)3)11(14)7-8-17-5/h7,10,17H,6,8H2,1-5H3
InChIKeyIIVUIGRHVAXAQA-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine?
The IUPAC name of 3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine (CID 123881219) is 3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine.
What is the SMILES notation for 3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine?
The canonical SMILES for 3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine is CCC(C)C(F)(F)C(C(F)=CCNC)=C(C)C.
What is the InChIKey of 3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine?
The InChIKey is IIVUIGRHVAXAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-6-10(4)13(15,16)12(9(2)3)11(14)7-8-17-5/h7,10,17H,6,8H2,1-5H3.
What are the key properties of 3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine?
3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine has a molecular weight of 249.32 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trifluoro-N,6-dimethyl-4-propan-2-ylideneoct-2-en-1-amine is sourced from PubChem (CID 123881219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).