N-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine

C18H27FN2O — CID 143722077

IUPACN-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine
SMILESC=C(C)/C(C)=N/C(CN1CCOCC1)=C(C)/C(F)=C\C=C/C
InChIInChI=1S/C18H27FN2O/c1-6-7-8-17(19)15(4)18(20-16(5)14(2)3)13-21-9-11-22-12-10-21/h6-8H,2,9-13H2,1,3-5H3/b7-6-,17-8+,18-15+,20-16+
InChIKeyDJXKWTDBNXCPKI-WTBKXQRRSA-N
MW306.43 g/mol
LogP4.06
Rot. Bonds6

About N-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine

N-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine (PubChem CID 143722077) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine.

Molecular Properties

Compound NameN-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine
PubChem CID143722077
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC NameN-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine
SMILESC=C(C)/C(C)=N/C(CN1CCOCC1)=C(C)/C(F)=C\C=C/C
InChIInChI=1S/C18H27FN2O/c1-6-7-8-17(19)15(4)18(20-16(5)14(2)3)13-21-9-11-22-12-10-21/h6-8H,2,9-13H2,1,3-5H3/b7-6-,17-8+,18-15+,20-16+
InChIKeyDJXKWTDBNXCPKI-WTBKXQRRSA-N
XLogP4.06
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.06
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 N-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine?
The IUPAC name of N-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine (CID 143722077) is N-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine.
What is the SMILES notation for N-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine?
The canonical SMILES for N-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine is C=C(C)/C(C)=N/C(CN1CCOCC1)=C(C)/C(F)=C\C=C/C.
What is the InChIKey of N-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine?
The InChIKey is DJXKWTDBNXCPKI-WTBKXQRRSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-6-7-8-17(19)15(4)18(20-16(5)14(2)3)13-21-9-11-22-12-10-21/h6-8H,2,9-13H2,1,3-5H3/b7-6-,17-8+,18-15+,20-16+.
What are the key properties of N-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine?
N-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine has a molecular weight of 306.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine is sourced from PubChem (CID 143722077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).