(4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine

C11H18FN — CID 143410980

IUPAC(4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine
SMILESC=C/C=C(F)\C=C/CC(C)(C)NC
InChIInChI=1S/C11H18FN/c1-5-7-10(12)8-6-9-11(2,3)13-4/h5-8,13H,1,9H2,2-4H3/b8-6-,10-7+
InChIKeyXVJDYYPSFBNXGF-GOOBONSCSA-N
MW183.27 g/mol
LogP2.97
Rot. Bonds5

About (4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine

(4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine (PubChem CID 143410980) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine.

Molecular Properties

Compound Name(4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine
PubChem CID143410980
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine
SMILESC=C/C=C(F)\C=C/CC(C)(C)NC
InChIInChI=1S/C11H18FN/c1-5-7-10(12)8-6-9-11(2,3)13-4/h5-8,13H,1,9H2,2-4H3/b8-6-,10-7+
InChIKeyXVJDYYPSFBNXGF-GOOBONSCSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.97
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 (4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine?
The IUPAC name of (4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine (CID 143410980) is (4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine.
What is the SMILES notation for (4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine?
The canonical SMILES for (4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine is C=C/C=C(F)\C=C/CC(C)(C)NC.
What is the InChIKey of (4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine?
The InChIKey is XVJDYYPSFBNXGF-GOOBONSCSA-N. The full InChI is InChI=1S/C11H18FN/c1-5-7-10(12)8-6-9-11(2,3)13-4/h5-8,13H,1,9H2,2-4H3/b8-6-,10-7+.
What are the key properties of (4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine?
(4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine has a molecular weight of 183.27 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine is sourced from PubChem (CID 143410980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).