(2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine

C12H24FN — CID 89168462

IUPAC(2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine
SMILESCC(C)/C=C(/CN)C(C)C(C)C(C)F
InChIInChI=1S/C12H24FN/c1-8(2)6-12(7-14)10(4)9(3)11(5)13/h6,8-11H,7,14H2,1-5H3/b12-6-
InChIKeyAJSGLKWFKPUQGC-SDQBBNPISA-N
MW201.33 g/mol
LogP3.16
Rot. Bonds5

About (2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine

(2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine (PubChem CID 89168462) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is (2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine.

Molecular Properties

Compound Name(2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine
PubChem CID89168462
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name(2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine
SMILESCC(C)/C=C(/CN)C(C)C(C)C(C)F
InChIInChI=1S/C12H24FN/c1-8(2)6-12(7-14)10(4)9(3)11(5)13/h6,8-11H,7,14H2,1-5H3/b12-6-
InChIKeyAJSGLKWFKPUQGC-SDQBBNPISA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.16
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 (2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine?
The IUPAC name of (2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine (CID 89168462) is (2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine.
What is the SMILES notation for (2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine?
The canonical SMILES for (2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine is CC(C)/C=C(/CN)C(C)C(C)C(C)F.
What is the InChIKey of (2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine?
The InChIKey is AJSGLKWFKPUQGC-SDQBBNPISA-N. The full InChI is InChI=1S/C12H24FN/c1-8(2)6-12(7-14)10(4)9(3)11(5)13/h6,8-11H,7,14H2,1-5H3/b12-6-.
What are the key properties of (2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine?
(2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine has a molecular weight of 201.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-fluoro-3,4-dimethyl-2-(2-methylpropylidene)hexan-1-amine is sourced from PubChem (CID 89168462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).