N-(2-methylhex-4-enyl)ethanimidoyl chloride

C9H16ClN — CID 90688753

IUPACN-(2-methylhex-4-enyl)ethanimidoyl chloride
SMILESCC=CCC(C)C/N=C(\C)Cl
InChIInChI=1S/C9H16ClN/c1-4-5-6-8(2)7-11-9(3)10/h4-5,8H,6-7H2,1-3H3/b5-4?,11-9+
InChIKeyRDGBTTKZBGENSP-MSMJHJSDSA-N
MW173.69 g/mol
LogP3.25
Rot. Bonds4

About N-(2-methylhex-4-enyl)ethanimidoyl chloride

N-(2-methylhex-4-enyl)ethanimidoyl chloride (PubChem CID 90688753) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is N-(2-methylhex-4-enyl)ethanimidoyl chloride.

Molecular Properties

Compound NameN-(2-methylhex-4-enyl)ethanimidoyl chloride
PubChem CID90688753
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC NameN-(2-methylhex-4-enyl)ethanimidoyl chloride
SMILESCC=CCC(C)C/N=C(\C)Cl
InChIInChI=1S/C9H16ClN/c1-4-5-6-8(2)7-11-9(3)10/h4-5,8H,6-7H2,1-3H3/b5-4?,11-9+
InChIKeyRDGBTTKZBGENSP-MSMJHJSDSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 53.25
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-(2,4-dimethylhex-4-enyl)ethanimidoyl chloride
CID 91502958
N-[(E)-3-methyloct-4-enyl]ethanimine
CID 117710360
7-chloro-4-methyl-3,4-dihydro-2H-azepine
CID 123574094
N-[(Z)-6-methylhept-3-enyl]ethanimine
CID 166839751

Frequently Asked Questions

What is the IUPAC name of N-(2-methylhex-4-enyl)ethanimidoyl chloride?
The IUPAC name of N-(2-methylhex-4-enyl)ethanimidoyl chloride (CID 90688753) is N-(2-methylhex-4-enyl)ethanimidoyl chloride.
What is the SMILES notation for N-(2-methylhex-4-enyl)ethanimidoyl chloride?
The canonical SMILES for N-(2-methylhex-4-enyl)ethanimidoyl chloride is CC=CCC(C)C/N=C(\C)Cl.
What is the InChIKey of N-(2-methylhex-4-enyl)ethanimidoyl chloride?
The InChIKey is RDGBTTKZBGENSP-MSMJHJSDSA-N. The full InChI is InChI=1S/C9H16ClN/c1-4-5-6-8(2)7-11-9(3)10/h4-5,8H,6-7H2,1-3H3/b5-4?,11-9+.
What are the key properties of N-(2-methylhex-4-enyl)ethanimidoyl chloride?
N-(2-methylhex-4-enyl)ethanimidoyl chloride has a molecular weight of 173.69 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylhex-4-enyl)ethanimidoyl chloride is sourced from PubChem (CID 90688753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).