(2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine

C11H18FN — CID 143108367

IUPAC(2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine
SMILESC=C/C(F)=C\C/C=C(\C)NCCC
InChIInChI=1S/C11H18FN/c1-4-9-13-10(3)7-6-8-11(12)5-2/h5,7-8,13H,2,4,6,9H2,1,3H3/b10-7+,11-8+
InChIKeyBPCBHTQZZSJSGV-AMMQDNIMSA-N
MW183.27 g/mol
LogP3.32
Rot. Bonds6

About (2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine

(2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine (PubChem CID 143108367) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine.

Molecular Properties

Compound Name(2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine
PubChem CID143108367
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine
SMILESC=C/C(F)=C\C/C=C(\C)NCCC
InChIInChI=1S/C11H18FN/c1-4-9-13-10(3)7-6-8-11(12)5-2/h5,7-8,13H,2,4,6,9H2,1,3H3/b10-7+,11-8+
InChIKeyBPCBHTQZZSJSGV-AMMQDNIMSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.32
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 (2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine?
The IUPAC name of (2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine (CID 143108367) is (2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine.
What is the SMILES notation for (2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine?
The canonical SMILES for (2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine is C=C/C(F)=C\C/C=C(\C)NCCC.
What is the InChIKey of (2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine?
The InChIKey is BPCBHTQZZSJSGV-AMMQDNIMSA-N. The full InChI is InChI=1S/C11H18FN/c1-4-9-13-10(3)7-6-8-11(12)5-2/h5,7-8,13H,2,4,6,9H2,1,3H3/b10-7+,11-8+.
What are the key properties of (2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine?
(2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine has a molecular weight of 183.27 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine is sourced from PubChem (CID 143108367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).