N,3-dimethylhex-2-enimidoyl chloride

C8H14ClN — CID 90815478

IUPACN,3-dimethylhex-2-enimidoyl chloride
SMILESCCCC(C)=C/C(Cl)=N/C
InChIInChI=1S/C8H14ClN/c1-4-5-7(2)6-8(9)10-3/h6H,4-5H2,1-3H3/b7-6?,10-8-
InChIKeyXOEDZPILAPKBJV-CJHDCQNGSA-N
MW159.66 g/mol
LogP3.00
Rot. Bonds3

About N,3-dimethylhex-2-enimidoyl chloride

N,3-dimethylhex-2-enimidoyl chloride (PubChem CID 90815478) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is N,3-dimethylhex-2-enimidoyl chloride.

Molecular Properties

Compound NameN,3-dimethylhex-2-enimidoyl chloride
PubChem CID90815478
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC NameN,3-dimethylhex-2-enimidoyl chloride
SMILESCCCC(C)=C/C(Cl)=N/C
InChIInChI=1S/C8H14ClN/c1-4-5-7(2)6-8(9)10-3/h6H,4-5H2,1-3H3/b7-6?,10-8-
InChIKeyXOEDZPILAPKBJV-CJHDCQNGSA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 53.00
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

6-Chloro-4-methyl-2,3-dihydropyridine
CID 66608301
N,3-dimethylhex-2-en-1-imine
CID 73829296
N,5-dimethylhexa-2,5-dienimidoyl chloride
CID 90760612
3-chloro-N-methyl-5-methylidenehept-2-enimidoyl chloride
CID 91261582
2-chloro-3-ethyl-6,7-dimethyl-4H-azepine
CID 123489443
N,2-dimethylhexa-2,5-dienimidoyl chloride
CID 123718919
2,5,7-trichloro-3-ethyl-4H-azepine
CID 123888465
(Z)-N,3-dimethylpent-2-enimidoyl chloride
CID 132023743
acetylene;ethane;3-ethylpent-2-ene;N-methylethanimidoyl chloride
CID 143346974
(E,1E)-N-[(E)-1-chloroprop-1-enyl]-3-methylpent-2-enimidoyl chloride
CID 143382576
(E)-3-ethyl-N,4,4-trimethylpent-2-enimidoyl chloride
CID 144144132
(E)-N,4-dimethylhept-3-en-2-imine
CID 144751661

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylhex-2-enimidoyl chloride?
The IUPAC name of N,3-dimethylhex-2-enimidoyl chloride (CID 90815478) is N,3-dimethylhex-2-enimidoyl chloride.
What is the SMILES notation for N,3-dimethylhex-2-enimidoyl chloride?
The canonical SMILES for N,3-dimethylhex-2-enimidoyl chloride is CCCC(C)=C/C(Cl)=N/C.
What is the InChIKey of N,3-dimethylhex-2-enimidoyl chloride?
The InChIKey is XOEDZPILAPKBJV-CJHDCQNGSA-N. The full InChI is InChI=1S/C8H14ClN/c1-4-5-7(2)6-8(9)10-3/h6H,4-5H2,1-3H3/b7-6?,10-8-.
What are the key properties of N,3-dimethylhex-2-enimidoyl chloride?
N,3-dimethylhex-2-enimidoyl chloride has a molecular weight of 159.66 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylhex-2-enimidoyl chloride is sourced from PubChem (CID 90815478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).