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

C8H12ClN — CID 90760612

IUPACN,5-dimethylhexa-2,5-dienimidoyl chloride
SMILESC=C(C)CC=C/C(Cl)=N/C
InChIInChI=1S/C8H12ClN/c1-7(2)5-4-6-8(9)10-3/h4,6H,1,5H2,2-3H3/b6-4?,10-8-
InChIKeyGRMJNVMCDPTVAD-MDWPDNHCSA-N
MW157.64 g/mol
LogP2.78
Rot. Bonds3

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

N,5-dimethylhexa-2,5-dienimidoyl chloride (PubChem CID 90760612) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is N,5-dimethylhexa-2,5-dienimidoyl chloride.

Molecular Properties

Compound NameN,5-dimethylhexa-2,5-dienimidoyl chloride
PubChem CID90760612
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC NameN,5-dimethylhexa-2,5-dienimidoyl chloride
SMILESC=C(C)CC=C/C(Cl)=N/C
InChIInChI=1S/C8H12ClN/c1-7(2)5-4-6-8(9)10-3/h4,6H,1,5H2,2-3H3/b6-4?,10-8-
InChIKeyGRMJNVMCDPTVAD-MDWPDNHCSA-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

6-Chloro-4-methyl-2,3-dihydropyridine
CID 66608301
(3S)-6-chloro-3-methyl-2,3-dihydropyridine
CID 89245175
N,3-dimethylhex-2-enimidoyl chloride
CID 90815478
N,2-dimethylhexa-1,4-dien-3-imine
CID 90892496
3-chloro-N-methyl-5-methylidenehept-2-enimidoyl chloride
CID 91261582
(2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine
CID 91555619
6-Chloro-3-methyl-2,3-dihydropyridine
CID 117748286
(5Z)-N,3-dimethylhepta-2,5-dien-4-imine
CID 123251903
(3E)-N-(2-chloropropyl)-4-methylhepta-3,6-dien-2-imine
CID 123291843
N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride
CID 123516910
2-methyl-N-pent-3-enylprop-2-enimidoyl chloride
CID 123530294
N-methylpent-2-enimidoyl chloride
CID 123588934

Frequently Asked Questions

What is the IUPAC name of N,5-dimethylhexa-2,5-dienimidoyl chloride?
The IUPAC name of N,5-dimethylhexa-2,5-dienimidoyl chloride (CID 90760612) is N,5-dimethylhexa-2,5-dienimidoyl chloride.
What is the SMILES notation for N,5-dimethylhexa-2,5-dienimidoyl chloride?
The canonical SMILES for N,5-dimethylhexa-2,5-dienimidoyl chloride is C=C(C)CC=C/C(Cl)=N/C.
What is the InChIKey of N,5-dimethylhexa-2,5-dienimidoyl chloride?
The InChIKey is GRMJNVMCDPTVAD-MDWPDNHCSA-N. The full InChI is InChI=1S/C8H12ClN/c1-7(2)5-4-6-8(9)10-3/h4,6H,1,5H2,2-3H3/b6-4?,10-8-.
What are the key properties of N,5-dimethylhexa-2,5-dienimidoyl chloride?
N,5-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,5-dimethylhexa-2,5-dienimidoyl chloride is sourced from PubChem (CID 90760612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).