N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine

C16H18ClN — CID 145483316

IUPACN-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine
SMILESC=C/C(=N\C(=C(C)C)c1ccccc1Cl)C(=C)C
InChIInChI=1S/C16H18ClN/c1-6-15(11(2)3)18-16(12(4)5)13-9-7-8-10-14(13)17/h6-10H,1-2H2,3-5H3/b18-15+
InChIKeyBQMNKJARYCXYJF-OBGWFSINSA-N
MW259.78 g/mol
LogP5.29
Rot. Bonds4

About N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine

N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine (PubChem CID 145483316) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine
PubChem CID145483316
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine
SMILESC=C/C(=N\C(=C(C)C)c1ccccc1Cl)C(=C)C
InChIInChI=1S/C16H18ClN/c1-6-15(11(2)3)18-16(12(4)5)13-9-7-8-10-14(13)17/h6-10H,1-2H2,3-5H3/b18-15+
InChIKeyBQMNKJARYCXYJF-OBGWFSINSA-N
XLogP5.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.78
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 139836771
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2-(2-chlorophenyl)prop-1-en-1-amine
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1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
[(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate
CID 53467478
2-methylbuta-1,3-diene;naphthalene
CID 159864264
2-chlorobenzenecarboselenoyl chloride
CID 22643532
2-(2-chlorophenyl)-2-phenylethenamine
CID 174393832
1-(2-chlorophenyl)-N-[(2Z,4E)-4-methyl-7-methylidene-6-propan-2-ylidenedeca-2,4-dien-3-yl]ethanimine
CID 142919932
(E)-2-N-benzhydrylidene-1-N-buta-1,3-dien-2-ylbut-2-ene-1,2-diimine
CID 134180301

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine?
The IUPAC name of N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine (CID 145483316) is N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine is C=C/C(=N\C(=C(C)C)c1ccccc1Cl)C(=C)C.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine?
The InChIKey is BQMNKJARYCXYJF-OBGWFSINSA-N. The full InChI is InChI=1S/C16H18ClN/c1-6-15(11(2)3)18-16(12(4)5)13-9-7-8-10-14(13)17/h6-10H,1-2H2,3-5H3/b18-15+.
What are the key properties of N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine?
N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine has a molecular weight of 259.78 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-2-methylpenta-1,4-dien-3-imine is sourced from PubChem (CID 145483316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).