sodium;cyclohexanimine;chloride

C6H11ClNNa — CID 175015859

IUPACsodium;cyclohexanimine;chloride
SMILES[Cl-].[H]N=C1CCCCC1.[Na+]
InChIInChI=1S/C6H11N.ClH.Na/c7-6-4-2-1-3-5-6;;/h7H,1-5H2;1H;/q;;+1/p-1
InChIKeyNGEFLPDIYIPXRQ-UHFFFAOYSA-M
MW155.60 g/mol
LogP-4.02
Rot. Bonds

About sodium;cyclohexanimine;chloride

sodium;cyclohexanimine;chloride (PubChem CID 175015859) has the molecular formula C6H11ClNNa and a molecular weight of 155.60 g/mol. Its IUPAC name is sodium;cyclohexanimine;chloride.

Molecular Properties

Compound Namesodium;cyclohexanimine;chloride
PubChem CID175015859
Molecular FormulaC6H11ClNNa
Molecular Weight155.60 g/mol
Exact Mass155.05
IUPAC Namesodium;cyclohexanimine;chloride
SMILES[Cl-].[H]N=C1CCCCC1.[Na+]
InChIInChI=1S/C6H11N.ClH.Na/c7-6-4-2-1-3-5-6;;/h7H,1-5H2;1H;/q;;+1/p-1
InChIKeyNGEFLPDIYIPXRQ-UHFFFAOYSA-M
XLogP-4.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.60
LogP ≤ 5-4.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;cyclohexanimine;chloride?
The IUPAC name of sodium;cyclohexanimine;chloride (CID 175015859) is sodium;cyclohexanimine;chloride.
What is the SMILES notation for sodium;cyclohexanimine;chloride?
The canonical SMILES for sodium;cyclohexanimine;chloride is [Cl-].[H]N=C1CCCCC1.[Na+].
What is the InChIKey of sodium;cyclohexanimine;chloride?
The InChIKey is NGEFLPDIYIPXRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11N.ClH.Na/c7-6-4-2-1-3-5-6;;/h7H,1-5H2;1H;/q;;+1/p-1.
What are the key properties of sodium;cyclohexanimine;chloride?
sodium;cyclohexanimine;chloride has a molecular weight of 155.60 g/mol, XLogP of -4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cyclohexanimine;chloride is sourced from PubChem (CID 175015859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).