(5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine

C11H20FN — CID 134365669

IUPAC(5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine
SMILESC=CC(NC)C(C)/C=C(/F)CCC
InChIInChI=1S/C11H20FN/c1-5-7-10(12)8-9(3)11(6-2)13-4/h6,8-9,11,13H,2,5,7H2,1,3-4H3/b10-8+
InChIKeyHAJIIQHDZGWTSQ-CSKARUKUSA-N
MW185.29 g/mol
LogP3.05
Rot. Bonds6

About (5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine

(5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine (PubChem CID 134365669) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine.

Molecular Properties

Compound Name(5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine
PubChem CID134365669
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine
SMILESC=CC(NC)C(C)/C=C(/F)CCC
InChIInChI=1S/C11H20FN/c1-5-7-10(12)8-9(3)11(6-2)13-4/h6,8-9,11,13H,2,5,7H2,1,3-4H3/b10-8+
InChIKeyHAJIIQHDZGWTSQ-CSKARUKUSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 53.05
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)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine?
The IUPAC name of (5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine (CID 134365669) is (5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine.
What is the SMILES notation for (5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine?
The canonical SMILES for (5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine is C=CC(NC)C(C)/C=C(/F)CCC.
What is the InChIKey of (5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine?
The InChIKey is HAJIIQHDZGWTSQ-CSKARUKUSA-N. The full InChI is InChI=1S/C11H20FN/c1-5-7-10(12)8-9(3)11(6-2)13-4/h6,8-9,11,13H,2,5,7H2,1,3-4H3/b10-8+.
What are the key properties of (5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine?
(5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine has a molecular weight of 185.29 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine is sourced from PubChem (CID 134365669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).