1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine

C17H23Cl2N — CID 175609254

IUPAC1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine
SMILESC=CC(C)(CCCC(C)C)/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C17H23Cl2N/c1-5-17(4,11-7-8-13(2)3)20-12-14-15(18)9-6-10-16(14)19/h5-6,9-10,12-13H,1,7-8,11H2,2-4H3/b20-12+
InChIKeyVDPMFOKBADCYBT-UDWIEESQSA-N
MW312.28 g/mol
LogP6.18
Rot. Bonds7

About 1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine

1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine (PubChem CID 175609254) has the molecular formula C17H23Cl2N and a molecular weight of 312.28 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine
PubChem CID175609254
Molecular FormulaC17H23Cl2N
Molecular Weight312.28 g/mol
Exact Mass311.12
IUPAC Name1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine
SMILESC=CC(C)(CCCC(C)C)/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C17H23Cl2N/c1-5-17(4,11-7-8-13(2)3)20-12-14-15(18)9-6-10-16(14)19/h5-6,9-10,12-13H,1,7-8,11H2,2-4H3/b20-12+
InChIKeyVDPMFOKBADCYBT-UDWIEESQSA-N
XLogP6.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.28
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine
CID 175609255
2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline
CID 175463115
1-[(2,6-dichlorophenyl)methylideneamino]ethanol
CID 56981300
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 4270440
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-methylpropanamide
CID 14593053
1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine
CID 175463116
N-(3,6-dimethylhept-1-en-3-yl)methanimine
CID 142048327
1-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylthiourea
CID 6902921
3-chloro-2-methyl-N-(4-methylpentyl)aniline
CID 83155980
2-chloro-6-(5-methylhexylamino)benzenecarbothioamide
CID 113287503
[(E)-(2,6-dichlorophenyl)methylideneamino] acetate
CID 165348151
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-methylbutanamide
CID 4157167

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine (CID 175609254) is 1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine is C=CC(C)(CCCC(C)C)/N=C/c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine?
The InChIKey is VDPMFOKBADCYBT-UDWIEESQSA-N. The full InChI is InChI=1S/C17H23Cl2N/c1-5-17(4,11-7-8-13(2)3)20-12-14-15(18)9-6-10-16(14)19/h5-6,9-10,12-13H,1,7-8,11H2,2-4H3/b20-12+.
What are the key properties of 1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine?
1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine has a molecular weight of 312.28 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine is sourced from PubChem (CID 175609254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).