3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine

C18H26FN3 — CID 146244467

IUPAC3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine
SMILESC=C(/N=C\C(/N=C(\C)C(=C)N(C)C)=C(C)C)C(=C)/C(F)=C\C
InChIInChI=1S/C18H26FN3/c1-10-17(19)13(4)14(5)20-11-18(12(2)3)21-15(6)16(7)22(8)9/h10-11H,4-5,7H2,1-3,6,8-9H3/b17-10+,20-11+,21-15+
InChIKeyZOZGDYARDKOXEK-RUEYIJKLSA-N
MW303.43 g/mol
LogP4.83
Rot. Bonds7

About 3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine

3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine (PubChem CID 146244467) has the molecular formula C18H26FN3 and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine.

Molecular Properties

Compound Name3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine
PubChem CID146244467
Molecular FormulaC18H26FN3
Molecular Weight303.43 g/mol
Exact Mass303.21
IUPAC Name3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine
SMILESC=C(/N=C\C(/N=C(\C)C(=C)N(C)C)=C(C)C)C(=C)/C(F)=C\C
InChIInChI=1S/C18H26FN3/c1-10-17(19)13(4)14(5)20-11-18(12(2)3)21-15(6)16(7)22(8)9/h10-11H,4-5,7H2,1-3,6,8-9H3/b17-10+,20-11+,21-15+
InChIKeyZOZGDYARDKOXEK-RUEYIJKLSA-N
XLogP4.83
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine?
The IUPAC name of 3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine (CID 146244467) is 3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine.
What is the SMILES notation for 3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine?
The canonical SMILES for 3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine is C=C(/N=C\C(/N=C(\C)C(=C)N(C)C)=C(C)C)C(=C)/C(F)=C\C.
What is the InChIKey of 3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine?
The InChIKey is ZOZGDYARDKOXEK-RUEYIJKLSA-N. The full InChI is InChI=1S/C18H26FN3/c1-10-17(19)13(4)14(5)20-11-18(12(2)3)21-15(6)16(7)22(8)9/h10-11H,4-5,7H2,1-3,6,8-9H3/b17-10+,20-11+,21-15+.
What are the key properties of 3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine?
3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine has a molecular weight of 303.43 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4E)-4-fluoro-3-methylidenehexa-1,4-dien-2-yl]imino-3-methylbut-2-en-2-yl]imino-N,N-dimethylbut-1-en-2-amine is sourced from PubChem (CID 146244467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).