9-fluoro-6-methylundeca-7,9-dien-3-amine

C12H22FN — CID 91034943

IUPAC9-fluoro-6-methylundeca-7,9-dien-3-amine
SMILESCC=C(F)C=CC(C)CCC(N)CC
InChIInChI=1S/C12H22FN/c1-4-11(13)8-6-10(3)7-9-12(14)5-2/h4,6,8,10,12H,5,7,9,14H2,1-3H3
InChIKeyAJHLZGARXRJZPH-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.57
Rot. Bonds6

About 9-fluoro-6-methylundeca-7,9-dien-3-amine

9-fluoro-6-methylundeca-7,9-dien-3-amine (PubChem CID 91034943) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 9-fluoro-6-methylundeca-7,9-dien-3-amine.

Molecular Properties

Compound Name9-fluoro-6-methylundeca-7,9-dien-3-amine
PubChem CID91034943
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name9-fluoro-6-methylundeca-7,9-dien-3-amine
SMILESCC=C(F)C=CC(C)CCC(N)CC
InChIInChI=1S/C12H22FN/c1-4-11(13)8-6-10(3)7-9-12(14)5-2/h4,6,8,10,12H,5,7,9,14H2,1-3H3
InChIKeyAJHLZGARXRJZPH-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.57
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 9-fluoro-6-methylundeca-7,9-dien-3-amine?
The IUPAC name of 9-fluoro-6-methylundeca-7,9-dien-3-amine (CID 91034943) is 9-fluoro-6-methylundeca-7,9-dien-3-amine.
What is the SMILES notation for 9-fluoro-6-methylundeca-7,9-dien-3-amine?
The canonical SMILES for 9-fluoro-6-methylundeca-7,9-dien-3-amine is CC=C(F)C=CC(C)CCC(N)CC.
What is the InChIKey of 9-fluoro-6-methylundeca-7,9-dien-3-amine?
The InChIKey is AJHLZGARXRJZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-4-11(13)8-6-10(3)7-9-12(14)5-2/h4,6,8,10,12H,5,7,9,14H2,1-3H3.
What are the key properties of 9-fluoro-6-methylundeca-7,9-dien-3-amine?
9-fluoro-6-methylundeca-7,9-dien-3-amine has a molecular weight of 199.31 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6-methylundeca-7,9-dien-3-amine is sourced from PubChem (CID 91034943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).