cyclohexylazanium chloride

C6H14ClN — CID 21097

IUPACcyclohexylazanium chloride
SMILES[Cl-].[NH3+]C1CCCCC1
InChIInChI=1S/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H
InChIKeyZJUGSKJHHWASAF-UHFFFAOYSA-N
MW135.64 g/mol
LogP-2.43
Rot. Bonds

About cyclohexylazanium chloride

cyclohexylazanium chloride (PubChem CID 21097) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is cyclohexylazanium chloride.

Molecular Properties

Compound Namecyclohexylazanium chloride
PubChem CID21097
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC Namecyclohexylazanium chloride
SMILES[Cl-].[NH3+]C1CCCCC1
InChIInChI=1S/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H
InChIKeyZJUGSKJHHWASAF-UHFFFAOYSA-N
XLogP-2.43
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.64
LogP ≤ 5-2.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Cyclohexylamine
CID 7965
1,2-Diaminocyclohexane
CID 4610
1,2-Diaminocyclohexane, trans-
CID 43806
1,4-Diaminocyclohexane
CID 18374
1,3-Cyclohexanediamine
CID 18814
1,2-Diaminocyclohexane, (+)-
CID 479307
2-Hexanamine
CID 21405
Cyclohexylamine hydrochloride
CID 2723770
Cyclohexylammonium bromide
CID 117303
1,2-Diaminocyclohexane, cis-
CID 342917
1,3-Diaminocyclohexane, cis-
CID 6998900
Cyclohexylammonium Ion
CID 1549093

Frequently Asked Questions

What is the IUPAC name of cyclohexylazanium chloride?
The IUPAC name of cyclohexylazanium chloride (CID 21097) is cyclohexylazanium chloride.
What is the SMILES notation for cyclohexylazanium chloride?
The canonical SMILES for cyclohexylazanium chloride is [Cl-].[NH3+]C1CCCCC1.
What is the InChIKey of cyclohexylazanium chloride?
The InChIKey is ZJUGSKJHHWASAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H.
What are the key properties of cyclohexylazanium chloride?
cyclohexylazanium chloride has a molecular weight of 135.64 g/mol, XLogP of -2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylazanium chloride is sourced from PubChem (CID 21097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).