(2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine

C22H30FNO — CID 91567722

IUPAC(2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine
SMILESC=C=C/C(CC)=C(C)\C(=C\N=C(C=C(CF)C(=C)C)\C=C/C)COC
InChIInChI=1S/C22H30FNO/c1-8-11-19(10-3)18(6)21(16-25-7)15-24-22(12-9-2)13-20(14-23)17(4)5/h9,11-13,15H,1,4,10,14,16H2,2-3,5-7H3/b12-9-,19-18-,20-13?,21-15+,24-22-
InChIKeyKSUUARUIRORREL-CKNNOFORSA-N
MW343.49 g/mol
LogP6.07
Rot. Bonds10

About (2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine

(2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine (PubChem CID 91567722) has the molecular formula C22H30FNO and a molecular weight of 343.49 g/mol. Its IUPAC name is (2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine.

Molecular Properties

Compound Name(2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine
PubChem CID91567722
Molecular FormulaC22H30FNO
Molecular Weight343.49 g/mol
Exact Mass343.23
IUPAC Name(2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine
SMILESC=C=C/C(CC)=C(C)\C(=C\N=C(C=C(CF)C(=C)C)\C=C/C)COC
InChIInChI=1S/C22H30FNO/c1-8-11-19(10-3)18(6)21(16-25-7)15-24-22(12-9-2)13-20(14-23)17(4)5/h9,11-13,15H,1,4,10,14,16H2,2-3,5-7H3/b12-9-,19-18-,20-13?,21-15+,24-22-
InChIKeyKSUUARUIRORREL-CKNNOFORSA-N
XLogP6.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine?
The IUPAC name of (2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine (CID 91567722) is (2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine.
What is the SMILES notation for (2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine?
The canonical SMILES for (2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine is C=C=C/C(CC)=C(C)\C(=C\N=C(C=C(CF)C(=C)C)\C=C/C)COC.
What is the InChIKey of (2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine?
The InChIKey is KSUUARUIRORREL-CKNNOFORSA-N. The full InChI is InChI=1S/C22H30FNO/c1-8-11-19(10-3)18(6)21(16-25-7)15-24-22(12-9-2)13-20(14-23)17(4)5/h9,11-13,15H,1,4,10,14,16H2,2-3,5-7H3/b12-9-,19-18-,20-13?,21-15+,24-22-.
What are the key properties of (2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine?
(2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine has a molecular weight of 343.49 g/mol, XLogP of 6.07, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[(1Z,3Z)-4-ethyl-2-(methoxymethyl)-3-methylhepta-1,3,5,6-tetraenyl]-6-(fluoromethyl)-7-methylocta-2,5,7-trien-4-imine is sourced from PubChem (CID 91567722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).