N-(2,3-dichlorocyclohexyl)methanimine

C7H11Cl2N — CID 22234897

IUPACN-(2,3-dichlorocyclohexyl)methanimine
SMILESC=NC1CCCC(Cl)C1Cl
InChIInChI=1S/C7H11Cl2N/c1-10-6-4-2-3-5(8)7(6)9/h5-7H,1-4H2
InChIKeyDDRAQIDDKYVPBD-UHFFFAOYSA-N
MW180.08 g/mol
LogP2.45
Rot. Bonds1

About N-(2,3-dichlorocyclohexyl)methanimine

N-(2,3-dichlorocyclohexyl)methanimine (PubChem CID 22234897) has the molecular formula C7H11Cl2N and a molecular weight of 180.08 g/mol. Its IUPAC name is N-(2,3-dichlorocyclohexyl)methanimine.

Molecular Properties

Compound NameN-(2,3-dichlorocyclohexyl)methanimine
PubChem CID22234897
Molecular FormulaC7H11Cl2N
Molecular Weight180.08 g/mol
Exact Mass179.03
IUPAC NameN-(2,3-dichlorocyclohexyl)methanimine
SMILESC=NC1CCCC(Cl)C1Cl
InChIInChI=1S/C7H11Cl2N/c1-10-6-4-2-3-5(8)7(6)9/h5-7H,1-4H2
InChIKeyDDRAQIDDKYVPBD-UHFFFAOYSA-N
XLogP2.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.08
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorocyclohexyl)methanimine?
The IUPAC name of N-(2,3-dichlorocyclohexyl)methanimine (CID 22234897) is N-(2,3-dichlorocyclohexyl)methanimine.
What is the SMILES notation for N-(2,3-dichlorocyclohexyl)methanimine?
The canonical SMILES for N-(2,3-dichlorocyclohexyl)methanimine is C=NC1CCCC(Cl)C1Cl.
What is the InChIKey of N-(2,3-dichlorocyclohexyl)methanimine?
The InChIKey is DDRAQIDDKYVPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2N/c1-10-6-4-2-3-5(8)7(6)9/h5-7H,1-4H2.
What are the key properties of N-(2,3-dichlorocyclohexyl)methanimine?
N-(2,3-dichlorocyclohexyl)methanimine has a molecular weight of 180.08 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorocyclohexyl)methanimine is sourced from PubChem (CID 22234897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).