N-(2,6-dimethylphenyl)heptanimidoyl chloride

C15H22ClN — CID 15323894

IUPACN-(2,6-dimethylphenyl)heptanimidoyl chloride
SMILESCCCCCC/C(Cl)=N/c1c(C)cccc1C
InChIInChI=1S/C15H22ClN/c1-4-5-6-7-11-14(16)17-15-12(2)9-8-10-13(15)3/h8-10H,4-7,11H2,1-3H3/b17-14-
InChIKeyQXWHADGYPTYBFC-VKAVYKQESA-N
MW251.80 g/mol
LogP5.54
Rot. Bonds6

About N-(2,6-dimethylphenyl)heptanimidoyl chloride

N-(2,6-dimethylphenyl)heptanimidoyl chloride (PubChem CID 15323894) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)heptanimidoyl chloride.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)heptanimidoyl chloride
PubChem CID15323894
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-(2,6-dimethylphenyl)heptanimidoyl chloride
SMILESCCCCCC/C(Cl)=N/c1c(C)cccc1C
InChIInChI=1S/C15H22ClN/c1-4-5-6-7-11-14(16)17-15-12(2)9-8-10-13(15)3/h8-10H,4-7,11H2,1-3H3/b17-14-
InChIKeyQXWHADGYPTYBFC-VKAVYKQESA-N
XLogP5.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.80
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylphenyl)nonan-1-one
CID 114026790
hexane;1,2,3-trimethylbenzene
CID 159405289
1-(2-chloro-3-methylphenyl)octadecan-1-one
CID 174846983
1-(2,6-dimethylphenyl)undecan-2-one
CID 115792441
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
cobalt;octanoic acid;1,2-xylene
CID 175075701
(1Z)-N-hydroxyhexanimidoyl chloride
CID 13031985
(2-heptanoyloxy-3-methylphenyl) heptanoate
CID 90024069
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
octan-1-ol;1,2-xylene
CID 68579692

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)heptanimidoyl chloride?
The IUPAC name of N-(2,6-dimethylphenyl)heptanimidoyl chloride (CID 15323894) is N-(2,6-dimethylphenyl)heptanimidoyl chloride.
What is the SMILES notation for N-(2,6-dimethylphenyl)heptanimidoyl chloride?
The canonical SMILES for N-(2,6-dimethylphenyl)heptanimidoyl chloride is CCCCCC/C(Cl)=N/c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)heptanimidoyl chloride?
The InChIKey is QXWHADGYPTYBFC-VKAVYKQESA-N. The full InChI is InChI=1S/C15H22ClN/c1-4-5-6-7-11-14(16)17-15-12(2)9-8-10-13(15)3/h8-10H,4-7,11H2,1-3H3/b17-14-.
What are the key properties of N-(2,6-dimethylphenyl)heptanimidoyl chloride?
N-(2,6-dimethylphenyl)heptanimidoyl chloride has a molecular weight of 251.80 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)heptanimidoyl chloride is sourced from PubChem (CID 15323894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).