1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane

C22H26N2 — CID 161266532

IUPAC1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane
SMILESC.C=Nc1ccc(/N=C(\C)c2cc(C(=C)C)cc(C(=C)C)c2)cc1
InChIInChI=1S/C21H22N2.CH4/c1-14(2)17-11-18(15(3)4)13-19(12-17)16(5)23-21-9-7-20(22-6)8-10-21;/h7-13H,1,3,6H2,2,4-5H3;1H4/b23-16+;
InChIKeyVDGJSUKZZMNQFP-BVXBIMGVSA-N
MW318.46 g/mol
LogP6.86
Rot. Bonds5

About 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane

1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane (PubChem CID 161266532) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane.

Molecular Properties

Compound Name1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane
PubChem CID161266532
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane
SMILESC.C=Nc1ccc(/N=C(\C)c2cc(C(=C)C)cc(C(=C)C)c2)cc1
InChIInChI=1S/C21H22N2.CH4/c1-14(2)17-11-18(15(3)4)13-19(12-17)16(5)23-21-9-7-20(22-6)8-10-21;/h7-13H,1,3,6H2,2,4-5H3;1H4/b23-16+;
InChIKeyVDGJSUKZZMNQFP-BVXBIMGVSA-N
XLogP6.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane 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 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane?
The IUPAC name of 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane (CID 161266532) is 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane.
What is the SMILES notation for 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane?
The canonical SMILES for 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane is C.C=Nc1ccc(/N=C(\C)c2cc(C(=C)C)cc(C(=C)C)c2)cc1.
What is the InChIKey of 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane?
The InChIKey is VDGJSUKZZMNQFP-BVXBIMGVSA-N. The full InChI is InChI=1S/C21H22N2.CH4/c1-14(2)17-11-18(15(3)4)13-19(12-17)16(5)23-21-9-7-20(22-6)8-10-21;/h7-13H,1,3,6H2,2,4-5H3;1H4/b23-16+;.
What are the key properties of 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane?
1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane has a molecular weight of 318.46 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane is sourced from PubChem (CID 161266532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).