cyclohexyl(methyl)azanium chloride

C7H16ClN — CID 517615

IUPACcyclohexyl(methyl)azanium chloride
SMILESC[NH2+]C1CCCCC1.[Cl-]
InChIInChI=1S/C7H15N.ClH/c1-8-7-5-3-2-4-6-7;/h7-8H,2-6H2,1H3;1H
InChIKeyKNGAVTDYYJIGHA-UHFFFAOYSA-N
MW149.66 g/mol
LogP-2.48
Rot. Bonds1

About cyclohexyl(methyl)azanium chloride

cyclohexyl(methyl)azanium chloride (PubChem CID 517615) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is cyclohexyl(methyl)azanium chloride.

Molecular Properties

Compound Namecyclohexyl(methyl)azanium chloride
PubChem CID517615
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC Namecyclohexyl(methyl)azanium chloride
SMILESC[NH2+]C1CCCCC1.[Cl-]
InChIInChI=1S/C7H15N.ClH/c1-8-7-5-3-2-4-6-7;/h7-8H,2-6H2,1H3;1H
InChIKeyKNGAVTDYYJIGHA-UHFFFAOYSA-N
XLogP-2.48
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 5-2.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(methyl)azanium chloride?
The IUPAC name of cyclohexyl(methyl)azanium chloride (CID 517615) is cyclohexyl(methyl)azanium chloride.
What is the SMILES notation for cyclohexyl(methyl)azanium chloride?
The canonical SMILES for cyclohexyl(methyl)azanium chloride is C[NH2+]C1CCCCC1.[Cl-].
What is the InChIKey of cyclohexyl(methyl)azanium chloride?
The InChIKey is KNGAVTDYYJIGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-8-7-5-3-2-4-6-7;/h7-8H,2-6H2,1H3;1H.
What are the key properties of cyclohexyl(methyl)azanium chloride?
cyclohexyl(methyl)azanium chloride has a molecular weight of 149.66 g/mol, XLogP of -2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(methyl)azanium chloride is sourced from PubChem (CID 517615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).