(3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine

C10H16FN — CID 166907432

IUPAC(3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine
SMILESC=C/C(=C\C=C(/CC)NC)CF
InChIInChI=1S/C10H16FN/c1-4-9(8-11)6-7-10(5-2)12-3/h4,6-7,12H,1,5,8H2,2-3H3/b9-6+,10-7+
InChIKeyOGWSJOVHRTWITJ-KZZDLZNXSA-N
MW169.24 g/mol
LogP2.58
Rot. Bonds5

About (3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine

(3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine (PubChem CID 166907432) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine
PubChem CID166907432
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine
SMILESC=C/C(=C\C=C(/CC)NC)CF
InChIInChI=1S/C10H16FN/c1-4-9(8-11)6-7-10(5-2)12-3/h4,6-7,12H,1,5,8H2,2-3H3/b9-6+,10-7+
InChIKeyOGWSJOVHRTWITJ-KZZDLZNXSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.58
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 (3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine?
The IUPAC name of (3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine (CID 166907432) is (3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine.
What is the SMILES notation for (3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine?
The canonical SMILES for (3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine is C=C/C(=C\C=C(/CC)NC)CF.
What is the InChIKey of (3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine?
The InChIKey is OGWSJOVHRTWITJ-KZZDLZNXSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-9(8-11)6-7-10(5-2)12-3/h4,6-7,12H,1,5,8H2,2-3H3/b9-6+,10-7+.
What are the key properties of (3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine?
(3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine has a molecular weight of 169.24 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-(fluoromethyl)-N-methylocta-3,5,7-trien-3-amine is sourced from PubChem (CID 166907432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).