2,4-dichloro-1,3-dimethyl-1,3-diazinane

C6H12Cl2N2 — CID 123722013

IUPAC2,4-dichloro-1,3-dimethyl-1,3-diazinane
SMILESCN1CCC(Cl)N(C)C1Cl
InChIInChI=1S/C6H12Cl2N2/c1-9-4-3-5(7)10(2)6(9)8/h5-6H,3-4H2,1-2H3
InChIKeyKJKZLIFNOTWSCV-UHFFFAOYSA-N
MW183.08 g/mol
LogP1.34
Rot. Bonds

About 2,4-dichloro-1,3-dimethyl-1,3-diazinane

2,4-dichloro-1,3-dimethyl-1,3-diazinane (PubChem CID 123722013) has the molecular formula C6H12Cl2N2 and a molecular weight of 183.08 g/mol. Its IUPAC name is 2,4-dichloro-1,3-dimethyl-1,3-diazinane.

Molecular Properties

Compound Name2,4-dichloro-1,3-dimethyl-1,3-diazinane
PubChem CID123722013
Molecular FormulaC6H12Cl2N2
Molecular Weight183.08 g/mol
Exact Mass182.04
IUPAC Name2,4-dichloro-1,3-dimethyl-1,3-diazinane
SMILESCN1CCC(Cl)N(C)C1Cl
InChIInChI=1S/C6H12Cl2N2/c1-9-4-3-5(7)10(2)6(9)8/h5-6H,3-4H2,1-2H3
InChIKeyKJKZLIFNOTWSCV-UHFFFAOYSA-N
XLogP1.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,3-dimethyl-1,3-diazinane?
The IUPAC name of 2,4-dichloro-1,3-dimethyl-1,3-diazinane (CID 123722013) is 2,4-dichloro-1,3-dimethyl-1,3-diazinane.
What is the SMILES notation for 2,4-dichloro-1,3-dimethyl-1,3-diazinane?
The canonical SMILES for 2,4-dichloro-1,3-dimethyl-1,3-diazinane is CN1CCC(Cl)N(C)C1Cl.
What is the InChIKey of 2,4-dichloro-1,3-dimethyl-1,3-diazinane?
The InChIKey is KJKZLIFNOTWSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2N2/c1-9-4-3-5(7)10(2)6(9)8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,4-dichloro-1,3-dimethyl-1,3-diazinane?
2,4-dichloro-1,3-dimethyl-1,3-diazinane has a molecular weight of 183.08 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,3-dimethyl-1,3-diazinane is sourced from PubChem (CID 123722013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).