N-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine

C22H23N3 — CID 130467456

IUPACN-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine
SMILESCC(=C)C1=CC(=CC(=C1)C(=NC2=CC(=CC(=C2)N=C)N=C)C)C(=C)C
InChIInChI=1S/C22H23N3/c1-14(2)17-8-18(15(3)4)10-19(9-17)16(5)25-22-12-20(23-6)11-21(13-22)24-7/h8-13H,1,3,6-7H2,2,4-5H3
InChIKeyMGKGGPNBTJGWDB-UHFFFAOYSA-N
MW329.40 g/mol
LogP8.60
Rot. Bonds6

About N-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine

N-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine (PubChem CID 130467456) has the molecular formula C22H23N3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine.

Molecular Properties

Compound NameN-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine
PubChem CID130467456
Molecular FormulaC22H23N3
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine
SMILESCC(=C)C1=CC(=CC(=C1)C(=NC2=CC(=CC(=C2)N=C)N=C)C)C(=C)C
InChIInChI=1S/C22H23N3/c1-14(2)17-8-18(15(3)4)10-19(9-17)16(5)25-22-12-20(23-6)11-21(13-22)24-7/h8-13H,1,3,6-7H2,2,4-5H3
InChIKeyMGKGGPNBTJGWDB-UHFFFAOYSA-N
XLogP8.60
TPSA37.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity522

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine?
The IUPAC name of N-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine (CID 130467456) is N-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine.
What is the SMILES notation for N-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine?
The canonical SMILES for N-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine is CC(=C)C1=CC(=CC(=C1)C(=NC2=CC(=CC(=C2)N=C)N=C)C)C(=C)C.
What is the InChIKey of N-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine?
The InChIKey is MGKGGPNBTJGWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-14(2)17-8-18(15(3)4)10-19(9-17)16(5)25-22-12-20(23-6)11-21(13-22)24-7/h8-13H,1,3,6-7H2,2,4-5H3.
What are the key properties of N-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine?
N-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine has a molecular weight of 329.40 g/mol, XLogP of 8.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine is sourced from PubChem (CID 130467456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).