(5E)-8-fluoro-6-methylnona-1,5-dien-3-amine

C10H18FN — CID 89154113

IUPAC(5E)-8-fluoro-6-methylnona-1,5-dien-3-amine
SMILESC=CC(N)C/C=C(\C)CC(C)F
InChIInChI=1S/C10H18FN/c1-4-10(12)6-5-8(2)7-9(3)11/h4-5,9-10H,1,6-7,12H2,2-3H3/b8-5+
InChIKeyFPQLRNRZSJEXOC-VMPITWQZSA-N
MW171.26 g/mol
LogP2.58
Rot. Bonds5

About (5E)-8-fluoro-6-methylnona-1,5-dien-3-amine

(5E)-8-fluoro-6-methylnona-1,5-dien-3-amine (PubChem CID 89154113) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (5E)-8-fluoro-6-methylnona-1,5-dien-3-amine.

Molecular Properties

Compound Name(5E)-8-fluoro-6-methylnona-1,5-dien-3-amine
PubChem CID89154113
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(5E)-8-fluoro-6-methylnona-1,5-dien-3-amine
SMILESC=CC(N)C/C=C(\C)CC(C)F
InChIInChI=1S/C10H18FN/c1-4-10(12)6-5-8(2)7-9(3)11/h4-5,9-10H,1,6-7,12H2,2-3H3/b8-5+
InChIKeyFPQLRNRZSJEXOC-VMPITWQZSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.58
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 (5E)-8-fluoro-6-methylnona-1,5-dien-3-amine?
The IUPAC name of (5E)-8-fluoro-6-methylnona-1,5-dien-3-amine (CID 89154113) is (5E)-8-fluoro-6-methylnona-1,5-dien-3-amine.
What is the SMILES notation for (5E)-8-fluoro-6-methylnona-1,5-dien-3-amine?
The canonical SMILES for (5E)-8-fluoro-6-methylnona-1,5-dien-3-amine is C=CC(N)C/C=C(\C)CC(C)F.
What is the InChIKey of (5E)-8-fluoro-6-methylnona-1,5-dien-3-amine?
The InChIKey is FPQLRNRZSJEXOC-VMPITWQZSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-10(12)6-5-8(2)7-9(3)11/h4-5,9-10H,1,6-7,12H2,2-3H3/b8-5+.
What are the key properties of (5E)-8-fluoro-6-methylnona-1,5-dien-3-amine?
(5E)-8-fluoro-6-methylnona-1,5-dien-3-amine has a molecular weight of 171.26 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-8-fluoro-6-methylnona-1,5-dien-3-amine is sourced from PubChem (CID 89154113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).