N-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride

C10H18ClN — CID 91502958

IUPACN-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride
SMILESCC=C(C)CC(C)C/N=C(\C)Cl
InChIInChI=1S/C10H18ClN/c1-5-8(2)6-9(3)7-12-10(4)11/h5,9H,6-7H2,1-4H3/b8-5?,12-10+
InChIKeyNILZRPWQPGSECL-RTLOPMQFSA-N
MW187.71 g/mol
LogP3.64
Rot. Bonds4

About N-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride

N-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride (PubChem CID 91502958) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is N-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride.

Molecular Properties

Compound NameN-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride
PubChem CID91502958
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC NameN-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride
SMILESCC=C(C)CC(C)C/N=C(\C)Cl
InChIInChI=1S/C10H18ClN/c1-5-8(2)6-9(3)7-12-10(4)11/h5,9H,6-7H2,1-4H3/b8-5?,12-10+
InChIKeyNILZRPWQPGSECL-RTLOPMQFSA-N
XLogP3.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 53.64
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-(2-methylhex-4-enyl)ethanimidoyl chloride
CID 90688753
3,5-dimethyl-3,4-dihydro-2H-azepine;ethane
CID 143707514
N-(2,6-dimethylhept-5-enyl)methanimine
CID 176935632

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride?
The IUPAC name of N-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride (CID 91502958) is N-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride.
What is the SMILES notation for N-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride?
The canonical SMILES for N-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride is CC=C(C)CC(C)C/N=C(\C)Cl.
What is the InChIKey of N-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride?
The InChIKey is NILZRPWQPGSECL-RTLOPMQFSA-N. The full InChI is InChI=1S/C10H18ClN/c1-5-8(2)6-9(3)7-12-10(4)11/h5,9H,6-7H2,1-4H3/b8-5?,12-10+.
What are the key properties of N-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride?
N-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride has a molecular weight of 187.71 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride is sourced from PubChem (CID 91502958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).