(3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine

C12H20FN — CID 134375788

IUPAC(3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine
SMILESC=C/C(F)=C(\C=C(/C)C(C)C)N(C)C
InChIInChI=1S/C12H20FN/c1-7-11(13)12(14(5)6)8-10(4)9(2)3/h7-9H,1H2,2-6H3/b10-8+,12-11-
InChIKeyOETBZFUOWSNBDD-GHGFDZLXSA-N
MW197.30 g/mol
LogP3.52
Rot. Bonds4

About (3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine

(3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine (PubChem CID 134375788) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine
PubChem CID134375788
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine
SMILESC=C/C(F)=C(\C=C(/C)C(C)C)N(C)C
InChIInChI=1S/C12H20FN/c1-7-11(13)12(14(5)6)8-10(4)9(2)3/h7-9H,1H2,2-6H3/b10-8+,12-11-
InChIKeyOETBZFUOWSNBDD-GHGFDZLXSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
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 (3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine?
The IUPAC name of (3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine (CID 134375788) is (3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine.
What is the SMILES notation for (3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine?
The canonical SMILES for (3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine is C=C/C(F)=C(\C=C(/C)C(C)C)N(C)C.
What is the InChIKey of (3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine?
The InChIKey is OETBZFUOWSNBDD-GHGFDZLXSA-N. The full InChI is InChI=1S/C12H20FN/c1-7-11(13)12(14(5)6)8-10(4)9(2)3/h7-9H,1H2,2-6H3/b10-8+,12-11-.
What are the key properties of (3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine?
(3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine has a molecular weight of 197.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine is sourced from PubChem (CID 134375788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).