N,2-dimethylhexa-2,5-dienimidoyl chloride

C8H12ClN — CID 123718919

IUPACN,2-dimethylhexa-2,5-dienimidoyl chloride
SMILESC=CCC=C(C)/C(Cl)=N/C
InChIInChI=1S/C8H12ClN/c1-4-5-6-7(2)8(9)10-3/h4,6H,1,5H2,2-3H3/b7-6?,10-8-
InChIKeySWMDYYUTJNENHT-CJHDCQNGSA-N
MW157.64 g/mol
LogP2.78
Rot. Bonds3

About N,2-dimethylhexa-2,5-dienimidoyl chloride

N,2-dimethylhexa-2,5-dienimidoyl chloride (PubChem CID 123718919) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is N,2-dimethylhexa-2,5-dienimidoyl chloride.

Molecular Properties

Compound NameN,2-dimethylhexa-2,5-dienimidoyl chloride
PubChem CID123718919
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC NameN,2-dimethylhexa-2,5-dienimidoyl chloride
SMILESC=CCC=C(C)/C(Cl)=N/C
InChIInChI=1S/C8H12ClN/c1-4-5-6-7(2)8(9)10-3/h4,6H,1,5H2,2-3H3/b7-6?,10-8-
InChIKeySWMDYYUTJNENHT-CJHDCQNGSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 52.78
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,5-dimethylhexa-2,5-dienimidoyl chloride
CID 90760612
N,3-dimethylhex-2-enimidoyl chloride
CID 90815478
2-methyl-N-pent-3-enylprop-2-enimidoyl chloride
CID 123530294
(Z)-N,3-dimethylpent-2-enimidoyl chloride
CID 132023743
5-ethenyl-N,4-dimethyl-2-methylidenehepta-4,6-dienimidoyl chloride
CID 132223270
(2E)-5-chloro-N,2-dimethylhepta-2,6-dien-1-imine
CID 139435606
(Z)-N,2-dimethylpent-2-enimidoyl chloride
CID 142087024
ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
CID 142245102
ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride
CID 143401352
(E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride
CID 155274564
(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
CID 142245103
3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride
CID 143401353

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylhexa-2,5-dienimidoyl chloride?
The IUPAC name of N,2-dimethylhexa-2,5-dienimidoyl chloride (CID 123718919) is N,2-dimethylhexa-2,5-dienimidoyl chloride.
What is the SMILES notation for N,2-dimethylhexa-2,5-dienimidoyl chloride?
The canonical SMILES for N,2-dimethylhexa-2,5-dienimidoyl chloride is C=CCC=C(C)/C(Cl)=N/C.
What is the InChIKey of N,2-dimethylhexa-2,5-dienimidoyl chloride?
The InChIKey is SWMDYYUTJNENHT-CJHDCQNGSA-N. The full InChI is InChI=1S/C8H12ClN/c1-4-5-6-7(2)8(9)10-3/h4,6H,1,5H2,2-3H3/b7-6?,10-8-.
What are the key properties of N,2-dimethylhexa-2,5-dienimidoyl chloride?
N,2-dimethylhexa-2,5-dienimidoyl chloride has a molecular weight of 157.64 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylhexa-2,5-dienimidoyl chloride is sourced from PubChem (CID 123718919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).