N-(2,6-dichlorophenyl)pentan-2-imine

C11H13Cl2N — CID 123174544

IUPACN-(2,6-dichlorophenyl)pentan-2-imine
SMILESCCC/C(C)=N/c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2N/c1-3-5-8(2)14-11-9(12)6-4-7-10(11)13/h4,6-7H,3,5H2,1-2H3/b14-8+
InChIKeyHWZMWIBEJZNQPB-RIYZIHGNSA-N
MW230.14 g/mol
LogP4.89
Rot. Bonds3

About N-(2,6-dichlorophenyl)pentan-2-imine

N-(2,6-dichlorophenyl)pentan-2-imine (PubChem CID 123174544) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)pentan-2-imine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)pentan-2-imine
PubChem CID123174544
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC NameN-(2,6-dichlorophenyl)pentan-2-imine
SMILESCCC/C(C)=N/c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2N/c1-3-5-8(2)14-11-9(12)6-4-7-10(11)13/h4,6-7H,3,5H2,1-2H3/b14-8+
InChIKeyHWZMWIBEJZNQPB-RIYZIHGNSA-N
XLogP4.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 54.89
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

3-chloro-2-[4-(2-chloro-6-hydroxyphenyl)iminopentan-2-ylideneamino]phenol
CID 126613617
2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine
CID 59227527
N-(3,5-dichlorophenyl)pentan-2-imine
CID 101123959
6-chloro-2-methyl-3-(pentan-2-ylideneamino)benzonitrile
CID 153345479
N-(2,6-dichlorophenyl)-1-[6-[N-(2,6-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride
CID 172995773
N-(2-butan-2-ylphenyl)pentan-2-imine
CID 177056586
dichloroiron;N-(2,6-dichlorophenyl)-1-[5-[N-(2,6-dichlorophenyl)-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine
CID 24940390
N'-(2-bromo-6-chlorophenyl)ethanimidamide;hydrochloride
CID 68563970
1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
1-(2-chloro-6-hydroxyphenyl)butan-1-one
CID 130034391
2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide
CID 9315307
N'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide
CID 70171088

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)pentan-2-imine?
The IUPAC name of N-(2,6-dichlorophenyl)pentan-2-imine (CID 123174544) is N-(2,6-dichlorophenyl)pentan-2-imine.
What is the SMILES notation for N-(2,6-dichlorophenyl)pentan-2-imine?
The canonical SMILES for N-(2,6-dichlorophenyl)pentan-2-imine is CCC/C(C)=N/c1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)pentan-2-imine?
The InChIKey is HWZMWIBEJZNQPB-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H13Cl2N/c1-3-5-8(2)14-11-9(12)6-4-7-10(11)13/h4,6-7H,3,5H2,1-2H3/b14-8+.
What are the key properties of N-(2,6-dichlorophenyl)pentan-2-imine?
N-(2,6-dichlorophenyl)pentan-2-imine has a molecular weight of 230.14 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)pentan-2-imine is sourced from PubChem (CID 123174544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).