(2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine

C17H28FN — CID 156726640

IUPAC(2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine
SMILESC=C(CC)C(=C(\CC)CN)/C(=C/C(=C)C(C)F)CC
InChIInChI=1S/C17H28FN/c1-7-12(4)17(16(9-3)11-19)15(8-2)10-13(5)14(6)18/h10,14H,4-5,7-9,11,19H2,1-3,6H3/b15-10+,17-16-
InChIKeyZBUDZYBMDOAPJI-QRMQZIJDSA-N
MW265.42 g/mol
LogP4.87
Rot. Bonds8

About (2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine

(2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine (PubChem CID 156726640) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is (2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine
PubChem CID156726640
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name(2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine
SMILESC=C(CC)C(=C(\CC)CN)/C(=C/C(=C)C(C)F)CC
InChIInChI=1S/C17H28FN/c1-7-12(4)17(16(9-3)11-19)15(8-2)10-13(5)14(6)18/h10,14H,4-5,7-9,11,19H2,1-3,6H3/b15-10+,17-16-
InChIKeyZBUDZYBMDOAPJI-QRMQZIJDSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.87
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 (2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine (CID 156726640) is (2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine is C=C(CC)C(=C(\CC)CN)/C(=C/C(=C)C(C)F)CC.
What is the InChIKey of (2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine?
The InChIKey is ZBUDZYBMDOAPJI-QRMQZIJDSA-N. The full InChI is InChI=1S/C17H28FN/c1-7-12(4)17(16(9-3)11-19)15(8-2)10-13(5)14(6)18/h10,14H,4-5,7-9,11,19H2,1-3,6H3/b15-10+,17-16-.
What are the key properties of (2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine?
(2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine is sourced from PubChem (CID 156726640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).