(E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine

C12H24FN — CID 134388221

IUPAC(E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine
SMILESCNCC(C)CC(C)C/C=C(\C)CF
InChIInChI=1S/C12H24FN/c1-10(5-6-11(2)8-13)7-12(3)9-14-4/h6,10,12,14H,5,7-9H2,1-4H3/b11-6+
InChIKeyMDLGMMUAOAIEDB-IZZDOVSWSA-N
MW201.33 g/mol
LogP3.17
Rot. Bonds7

About (E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine

(E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine (PubChem CID 134388221) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is (E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine.

Molecular Properties

Compound Name(E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine
PubChem CID134388221
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name(E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine
SMILESCNCC(C)CC(C)C/C=C(\C)CF
InChIInChI=1S/C12H24FN/c1-10(5-6-11(2)8-13)7-12(3)9-14-4/h6,10,12,14H,5,7-9H2,1-4H3/b11-6+
InChIKeyMDLGMMUAOAIEDB-IZZDOVSWSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine?
The IUPAC name of (E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine (CID 134388221) is (E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine.
What is the SMILES notation for (E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine?
The canonical SMILES for (E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine is CNCC(C)CC(C)C/C=C(\C)CF.
What is the InChIKey of (E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine?
The InChIKey is MDLGMMUAOAIEDB-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H24FN/c1-10(5-6-11(2)8-13)7-12(3)9-14-4/h6,10,12,14H,5,7-9H2,1-4H3/b11-6+.
What are the key properties of (E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine?
(E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine has a molecular weight of 201.33 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine is sourced from PubChem (CID 134388221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).