(3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine

C11H16FN — CID 126548960

IUPAC(3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine
SMILESC=C(C)/C(C)=C(N)/C=C\C=C(/C)F
InChIInChI=1S/C11H16FN/c1-8(2)10(4)11(13)7-5-6-9(3)12/h5-7H,1,13H2,2-4H3/b7-5-,9-6+,11-10-
InChIKeyQMRQNQZEBQUMJW-TUHHMAEPSA-N
MW181.25 g/mol
LogP3.22
Rot. Bonds3

About (3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine

(3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine (PubChem CID 126548960) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine.

Molecular Properties

Compound Name(3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine
PubChem CID126548960
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine
SMILESC=C(C)/C(C)=C(N)/C=C\C=C(/C)F
InChIInChI=1S/C11H16FN/c1-8(2)10(4)11(13)7-5-6-9(3)12/h5-7H,1,13H2,2-4H3/b7-5-,9-6+,11-10-
InChIKeyQMRQNQZEBQUMJW-TUHHMAEPSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.22
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 (3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine?
The IUPAC name of (3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine (CID 126548960) is (3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine.
What is the SMILES notation for (3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine?
The canonical SMILES for (3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine is C=C(C)/C(C)=C(N)/C=C\C=C(/C)F.
What is the InChIKey of (3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine?
The InChIKey is QMRQNQZEBQUMJW-TUHHMAEPSA-N. The full InChI is InChI=1S/C11H16FN/c1-8(2)10(4)11(13)7-5-6-9(3)12/h5-7H,1,13H2,2-4H3/b7-5-,9-6+,11-10-.
What are the key properties of (3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine?
(3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine has a molecular weight of 181.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine is sourced from PubChem (CID 126548960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).