(2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine

C14H22FN — CID 142326450

IUPAC(2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine
SMILESC=C/C(=C\C=C(/C)F)CNC(=C)C(C)CC
InChIInChI=1S/C14H22FN/c1-6-11(3)13(5)16-10-14(7-2)9-8-12(4)15/h7-9,11,16H,2,5-6,10H2,1,3-4H3/b12-8+,14-9+
InChIKeyDDTJSYOFAYZHEJ-MXOVAJDFSA-N
MW223.33 g/mol
LogP4.12
Rot. Bonds7

About (2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine

(2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine (PubChem CID 142326450) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine
PubChem CID142326450
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name(2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine
SMILESC=C/C(=C\C=C(/C)F)CNC(=C)C(C)CC
InChIInChI=1S/C14H22FN/c1-6-11(3)13(5)16-10-14(7-2)9-8-12(4)15/h7-9,11,16H,2,5-6,10H2,1,3-4H3/b12-8+,14-9+
InChIKeyDDTJSYOFAYZHEJ-MXOVAJDFSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 54.12
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 (2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine (CID 142326450) is (2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine is C=C/C(=C\C=C(/C)F)CNC(=C)C(C)CC.
What is the InChIKey of (2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine?
The InChIKey is DDTJSYOFAYZHEJ-MXOVAJDFSA-N. The full InChI is InChI=1S/C14H22FN/c1-6-11(3)13(5)16-10-14(7-2)9-8-12(4)15/h7-9,11,16H,2,5-6,10H2,1,3-4H3/b12-8+,14-9+.
What are the key properties of (2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine?
(2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine has a molecular weight of 223.33 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine is sourced from PubChem (CID 142326450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).