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
SMILESC=Nc1cc(N=C)cc(/N=C(\C)c2cc(C(=C)C)cc(C(=C)C)c2)c1
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/b25-16+
InChIKeyMGKGGPNBTJGWDB-PCLIKHOPSA-N
MW329.45 g/mol
LogP6.56
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 329.45 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 Weight329.45 g/mol
Exact Mass329.19
IUPAC NameN-[3,5-bis(methylideneamino)phenyl]-1-[3,5-bis(prop-1-en-2-yl)phenyl]ethanimine
SMILESC=Nc1cc(N=C)cc(/N=C(\C)c2cc(C(=C)C)cc(C(=C)C)c2)c1
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/b25-16+
InChIKeyMGKGGPNBTJGWDB-PCLIKHOPSA-N
XLogP6.56
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[4-(methylideneamino)phenyl]ethanimine;methane
CID 161266532
1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine
CID 130467532
1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[10-methyl-6-(methylideneamino)acridin-10-ium-3-yl]ethanimine
CID 130467507
1-methyl-3,5-bis(prop-1-en-2-yl)benzene
CID 142935126
1,3,5-tris[3,5-bis(prop-1-en-2-yl)phenyl]benzene
CID 101246721
2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene
CID 170266078
2,7-bis(prop-1-en-2-yl)pyrene
CID 162639886
1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen
CID 163256290
3-chloro-5-prop-1-en-2-ylphenol
CID 84653274
4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol
CID 137317837
N-(4-bromo-3,5-dimethylphenyl)methanimine
CID 118480282
N-(3,5-dimethylphenyl)-1-pyridin-3-ylethanimine
CID 90830310

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 C=Nc1cc(N=C)cc(/N=C(\C)c2cc(C(=C)C)cc(C(=C)C)c2)c1.
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-PCLIKHOPSA-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/b25-16+.
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 329.45 g/mol, XLogP of 6.56, 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).