(Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine

C13H24F3N — CID 163831978

IUPAC(Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine
SMILESC/C=C\C(C)C(CCC)NCCCC(F)(F)F
InChIInChI=1S/C13H24F3N/c1-4-7-11(3)12(8-5-2)17-10-6-9-13(14,15)16/h4,7,11-12,17H,5-6,8-10H2,1-3H3/b7-4-
InChIKeyOEJOQWGJQXTKPM-DAXSKMNVSA-N
MW251.34 g/mol
LogP4.30
Rot. Bonds8

About (Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine

(Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine (PubChem CID 163831978) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is (Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine.

Molecular Properties

Compound Name(Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine
PubChem CID163831978
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name(Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine
SMILESC/C=C\C(C)C(CCC)NCCCC(F)(F)F
InChIInChI=1S/C13H24F3N/c1-4-7-11(3)12(8-5-2)17-10-6-9-13(14,15)16/h4,7,11-12,17H,5-6,8-10H2,1-3H3/b7-4-
InChIKeyOEJOQWGJQXTKPM-DAXSKMNVSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine?
The IUPAC name of (Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine (CID 163831978) is (Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine.
What is the SMILES notation for (Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine?
The canonical SMILES for (Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine is C/C=C\C(C)C(CCC)NCCCC(F)(F)F.
What is the InChIKey of (Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine?
The InChIKey is OEJOQWGJQXTKPM-DAXSKMNVSA-N. The full InChI is InChI=1S/C13H24F3N/c1-4-7-11(3)12(8-5-2)17-10-6-9-13(14,15)16/h4,7,11-12,17H,5-6,8-10H2,1-3H3/b7-4-.
What are the key properties of (Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine?
(Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine has a molecular weight of 251.34 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine is sourced from PubChem (CID 163831978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).