cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride

C11H25ClN+ — CID 154694779

IUPACcyclohexylmethyl-ethyl-dimethylazanium;hydrochloride
SMILESCC[N+](C)(C)CC1CCCCC1.Cl
InChIInChI=1S/C11H24N.ClH/c1-4-12(2,3)10-11-8-6-5-7-9-11;/h11H,4-10H2,1-3H3;1H/q+1;
InChIKeyGQVPFBZDJSLSCB-UHFFFAOYSA-N
MW206.78 g/mol
LogP3.08
Rot. Bonds3

About cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride

cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride (PubChem CID 154694779) has the molecular formula C11H25ClN+ and a molecular weight of 206.78 g/mol. Its IUPAC name is cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride.

Molecular Properties

Compound Namecyclohexylmethyl-ethyl-dimethylazanium;hydrochloride
PubChem CID154694779
Molecular FormulaC11H25ClN+
Molecular Weight206.78 g/mol
Exact Mass206.17
IUPAC Namecyclohexylmethyl-ethyl-dimethylazanium;hydrochloride
SMILESCC[N+](C)(C)CC1CCCCC1.Cl
InChIInChI=1S/C11H24N.ClH/c1-4-12(2,3)10-11-8-6-5-7-9-11;/h11H,4-10H2,1-3H3;1H/q+1;
InChIKeyGQVPFBZDJSLSCB-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.78
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexylmethyl(trimethyl)azanium hydroxide
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cyclohexylmethyl-dimethyl-sulfanylazanium
CID 143834523
cyclohexylmethyl(trimethyl)azanium fluoride
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1-cyclononyl-N,N-dimethylmethanamine oxide
CID 121011924
cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron
CID 162277252
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethane;bis(ethylcyclopentane)
CID 158911237
methylsulfanylmethylcyclohexane;propane
CID 90890228
ethylcyclooctane;fluoromethane
CID 174962953
propylcyclotetradecane
CID 90991550
ethane;fluoromethylcyclohexane
CID 143258726
(3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium
CID 155634166

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride?
The IUPAC name of cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride (CID 154694779) is cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride.
What is the SMILES notation for cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride?
The canonical SMILES for cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride is CC[N+](C)(C)CC1CCCCC1.Cl.
What is the InChIKey of cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride?
The InChIKey is GQVPFBZDJSLSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N.ClH/c1-4-12(2,3)10-11-8-6-5-7-9-11;/h11H,4-10H2,1-3H3;1H/q+1;.
What are the key properties of cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride?
cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride has a molecular weight of 206.78 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride is sourced from PubChem (CID 154694779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).