N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine

C19H23N — CID 143722164

IUPACN-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine
SMILESC=C(C(/N=C/C)=C(C)\C=C/C=C\C)c1ccccc1C
InChIInChI=1S/C19H23N/c1-6-8-9-13-16(4)19(20-7-2)17(5)18-14-11-10-12-15(18)3/h6-14H,5H2,1-4H3/b8-6-,13-9-,19-16+,20-7+
InChIKeyCUBDXBLETGORLG-AYPAYCDWSA-N
MW265.40 g/mol
LogP5.51
Rot. Bonds5

About N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine

N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine (PubChem CID 143722164) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine
PubChem CID143722164
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine
SMILESC=C(C(/N=C/C)=C(C)\C=C/C=C\C)c1ccccc1C
InChIInChI=1S/C19H23N/c1-6-8-9-13-16(4)19(20-7-2)17(5)18-14-11-10-12-15(18)3/h6-14H,5H2,1-4H3/b8-6-,13-9-,19-16+,20-7+
InChIKeyCUBDXBLETGORLG-AYPAYCDWSA-N
XLogP5.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine with MolForge

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Related Compounds

1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene
CID 144820853
1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene
CID 142414325
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246
1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene
CID 143906024
1-hepta-1,3,5-trien-3-yl-2-methylbenzene
CID 123500463
ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene
CID 143592596
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
1-methyl-2-[(3E,5Z)-4-(2-methylphenyl)hepta-1,3,5-trien-2-yl]benzene
CID 144508222
1-[(2Z,4E)-5,7-dimethylocta-2,4,7-trien-4-yl]-2-methylbenzene;ethane
CID 144660459
2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide
CID 142992070
2-(2-methylphenyl)prop-2-enamide
CID 23202678

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine?
The IUPAC name of N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine (CID 143722164) is N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine.
What is the SMILES notation for N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine?
The canonical SMILES for N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine is C=C(C(/N=C/C)=C(C)\C=C/C=C\C)c1ccccc1C.
What is the InChIKey of N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine?
The InChIKey is CUBDXBLETGORLG-AYPAYCDWSA-N. The full InChI is InChI=1S/C19H23N/c1-6-8-9-13-16(4)19(20-7-2)17(5)18-14-11-10-12-15(18)3/h6-14H,5H2,1-4H3/b8-6-,13-9-,19-16+,20-7+.
What are the key properties of N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine?
N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine has a molecular weight of 265.40 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine is sourced from PubChem (CID 143722164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).