(4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine

C16H26FN — CID 166765761

IUPAC(4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine
SMILESC=CC(NC)/C(C(=C)C)=C(\CCCF)C(=C)CC
InChIInChI=1S/C16H26FN/c1-7-13(5)14(10-9-11-17)16(12(3)4)15(8-2)18-6/h8,15,18H,2-3,5,7,9-11H2,1,4,6H3/b16-14+
InChIKeyLMINABGUNPOQTE-JQIJEIRASA-N
MW251.39 g/mol
LogP4.35
Rot. Bonds9

About (4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine

(4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine (PubChem CID 166765761) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is (4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine.

Molecular Properties

Compound Name(4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine
PubChem CID166765761
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name(4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine
SMILESC=CC(NC)/C(C(=C)C)=C(\CCCF)C(=C)CC
InChIInChI=1S/C16H26FN/c1-7-13(5)14(10-9-11-17)16(12(3)4)15(8-2)18-6/h8,15,18H,2-3,5,7,9-11H2,1,4,6H3/b16-14+
InChIKeyLMINABGUNPOQTE-JQIJEIRASA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine?
The IUPAC name of (4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine (CID 166765761) is (4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine.
What is the SMILES notation for (4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine?
The canonical SMILES for (4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine is C=CC(NC)/C(C(=C)C)=C(\CCCF)C(=C)CC.
What is the InChIKey of (4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine?
The InChIKey is LMINABGUNPOQTE-JQIJEIRASA-N. The full InChI is InChI=1S/C16H26FN/c1-7-13(5)14(10-9-11-17)16(12(3)4)15(8-2)18-6/h8,15,18H,2-3,5,7,9-11H2,1,4,6H3/b16-14+.
What are the key properties of (4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine?
(4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine has a molecular weight of 251.39 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-(3-fluoropropyl)-N-methyl-6-methylidene-4-prop-1-en-2-ylocta-1,4-dien-3-amine is sourced from PubChem (CID 166765761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).