1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine

C23H30ClN — CID 142919932

IUPAC1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine
SMILESC=C(CCC)C(/C=C(C)/C(=C/C)/N=C(\C)c1ccccc1Cl)=C(C)C
InChIInChI=1S/C23H30ClN/c1-8-12-17(5)21(16(3)4)15-18(6)23(9-2)25-19(7)20-13-10-11-14-22(20)24/h9-11,13-15H,5,8,12H2,1-4,6-7H3/b18-15+,23-9-,25-19+
InChIKeyCDIZVMCYANKMGF-LSUPRCTKSA-N
MW355.95 g/mol
LogP7.69
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine

1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine (PubChem CID 142919932) has the molecular formula C23H30ClN and a molecular weight of 355.95 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine
PubChem CID142919932
Molecular FormulaC23H30ClN
Molecular Weight355.95 g/mol
Exact Mass355.21
IUPAC Name1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine
SMILESC=C(CCC)C(/C=C(C)/C(=C/C)/N=C(\C)c1ccccc1Cl)=C(C)C
InChIInChI=1S/C23H30ClN/c1-8-12-17(5)21(16(3)4)15-18(6)23(9-2)25-19(7)20-13-10-11-14-22(20)24/h9-11,13-15H,5,8,12H2,1-4,6-7H3/b18-15+,23-9-,25-19+
InChIKeyCDIZVMCYANKMGF-LSUPRCTKSA-N
XLogP7.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.95
LogP ≤ 57.69
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'}

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Related Compounds

N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine
CID 145483316
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CID 139836771
1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine
CID 166131639
acetylene;3-chloro-N-[(4Z,6E)-6-[1-(2-chloro-3-methylphenyl)ethylideneamino]-3,5-dimethylocta-1,4,6-trien-2-yl]-4-methylaniline
CID 143659517
N-(2,6-dichlorophenyl)pentan-2-imine
CID 123174544
4,8-bis(ethenyl)-N'-methyl-5-[N-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]-C-propylcarbonimidoyl]naphthalene-1-carboximidamide
CID 174175150
2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide
CID 142992070
N-(butylideneamino)-2-chlorobenzamide
CID 4033779
1-chloro-2-(1-chloroethenyl)benzene
CID 10942929
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
1-(5-bromopent-2-en-2-yl)-2-chlorobenzene
CID 79018892
1-(2,3-dichlorophenyl)butan-1-one
CID 54508940

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine (CID 142919932) is 1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine is C=C(CCC)C(/C=C(C)/C(=C/C)/N=C(\C)c1ccccc1Cl)=C(C)C.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine?
The InChIKey is CDIZVMCYANKMGF-LSUPRCTKSA-N. The full InChI is InChI=1S/C23H30ClN/c1-8-12-17(5)21(16(3)4)15-18(6)23(9-2)25-19(7)20-13-10-11-14-22(20)24/h9-11,13-15H,5,8,12H2,1-4,6-7H3/b18-15+,23-9-,25-19+.
What are the key properties of 1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine?
1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine has a molecular weight of 355.95 g/mol, XLogP of 7.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine is sourced from PubChem (CID 142919932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).