(6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine

C13H24FN — CID 145350547

IUPAC(6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine
SMILESC=C(CC(CCC)C(C)(F)/C=C\C)NC
InChIInChI=1S/C13H24FN/c1-6-8-12(10-11(3)15-5)13(4,14)9-7-2/h7,9,12,15H,3,6,8,10H2,1-2,4-5H3/b9-7-
InChIKeyOPJSMAFXEYSSKB-CLFYSBASSA-N
MW213.34 g/mol
LogP3.83
Rot. Bonds7

About (6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine

(6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine (PubChem CID 145350547) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is (6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine.

Molecular Properties

Compound Name(6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine
PubChem CID145350547
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name(6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine
SMILESC=C(CC(CCC)C(C)(F)/C=C\C)NC
InChIInChI=1S/C13H24FN/c1-6-8-12(10-11(3)15-5)13(4,14)9-7-2/h7,9,12,15H,3,6,8,10H2,1-2,4-5H3/b9-7-
InChIKeyOPJSMAFXEYSSKB-CLFYSBASSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.83
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 (6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine?
The IUPAC name of (6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine (CID 145350547) is (6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine.
What is the SMILES notation for (6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine?
The canonical SMILES for (6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine is C=C(CC(CCC)C(C)(F)/C=C\C)NC.
What is the InChIKey of (6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine?
The InChIKey is OPJSMAFXEYSSKB-CLFYSBASSA-N. The full InChI is InChI=1S/C13H24FN/c1-6-8-12(10-11(3)15-5)13(4,14)9-7-2/h7,9,12,15H,3,6,8,10H2,1-2,4-5H3/b9-7-.
What are the key properties of (6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine?
(6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine has a molecular weight of 213.34 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine is sourced from PubChem (CID 145350547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).