(3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine

C13H22FN — CID 139543500

IUPAC(3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine
SMILESC=C(C)/C(=C/C(F)=C(\N)C(C)C)CCC
InChIInChI=1S/C13H22FN/c1-6-7-11(9(2)3)8-12(14)13(15)10(4)5/h8,10H,2,6-7,15H2,1,3-5H3/b11-8+,13-12+
InChIKeyZSSNGBSVDXVOJO-OWKCIBLPSA-N
MW211.32 g/mol
LogP4.08
Rot. Bonds5

About (3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine

(3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine (PubChem CID 139543500) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is (3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine
PubChem CID139543500
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name(3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine
SMILESC=C(C)/C(=C/C(F)=C(\N)C(C)C)CCC
InChIInChI=1S/C13H22FN/c1-6-7-11(9(2)3)8-12(14)13(15)10(4)5/h8,10H,2,6-7,15H2,1,3-5H3/b11-8+,13-12+
InChIKeyZSSNGBSVDXVOJO-OWKCIBLPSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 54.08
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 (3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine (CID 139543500) is (3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine is C=C(C)/C(=C/C(F)=C(\N)C(C)C)CCC.
What is the InChIKey of (3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine?
The InChIKey is ZSSNGBSVDXVOJO-OWKCIBLPSA-N. The full InChI is InChI=1S/C13H22FN/c1-6-7-11(9(2)3)8-12(14)13(15)10(4)5/h8,10H,2,6-7,15H2,1,3-5H3/b11-8+,13-12+.
What are the key properties of (3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine?
(3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine has a molecular weight of 211.32 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4-fluoro-2-methyl-6-prop-1-en-2-ylnona-3,5-dien-3-amine is sourced from PubChem (CID 139543500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).