(3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium

C13H28NO+ — CID 155634166

IUPAC(3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CCC(O)C1CCCCC1
InChIInChI=1S/C13H28NO/c1-4-14(2,3)11-10-13(15)12-8-6-5-7-9-12/h12-13,15H,4-11H2,1-3H3/q+1
InChIKeyVLMOQYLCLGPBFZ-UHFFFAOYSA-N
MW214.37 g/mol
LogP2.41
Rot. Bonds5

About (3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium

(3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium (PubChem CID 155634166) has the molecular formula C13H28NO+ and a molecular weight of 214.37 g/mol. Its IUPAC name is (3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium.

Molecular Properties

Compound Name(3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium
PubChem CID155634166
Molecular FormulaC13H28NO+
Molecular Weight214.37 g/mol
Exact Mass214.22
IUPAC Name(3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CCC(O)C1CCCCC1
InChIInChI=1S/C13H28NO/c1-4-14(2,3)11-10-13(15)12-8-6-5-7-9-12/h12-13,15H,4-11H2,1-3H3/q+1
InChIKeyVLMOQYLCLGPBFZ-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexylpentane-1,4-diol
CID 11446772
1-cycloheptyl-3-methylsulfanylpropan-1-ol
CID 82928181
(1R)-1-cyclopentylpropan-1-ol;sulfane
CID 161153256
1-cyclooctylundecan-1-ol
CID 80603651
1-cycloheptyl-2-ethylsulfanylethanol
CID 82931500
1-cycloheptyl-4-ethylsulfonylbutan-1-ol
CID 65399225
1-cyclopentyl-3-(ethylamino)propan-1-ol
CID 167001282
(1S)-7-bromo-1-cyclohexylheptan-1-ol
CID 10588552
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
(1S,3R)-1-cyclopentylbutane-1,3-diol
CID 130757763
1-cyclopentyl-3-[ethyl(methyl)amino]propan-1-ol
CID 45098609
1-cyclohexylheptane-1,7-diol
CID 67923944

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium?
The IUPAC name of (3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium (CID 155634166) is (3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium.
What is the SMILES notation for (3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium?
The canonical SMILES for (3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium is CC[N+](C)(C)CCC(O)C1CCCCC1.
What is the InChIKey of (3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium?
The InChIKey is VLMOQYLCLGPBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28NO/c1-4-14(2,3)11-10-13(15)12-8-6-5-7-9-12/h12-13,15H,4-11H2,1-3H3/q+1.
What are the key properties of (3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium?
(3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium has a molecular weight of 214.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium is sourced from PubChem (CID 155634166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).