N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid

C10H23NO4S — CID 137404718

IUPACN,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid
SMILESCN(C)C1CCCCC1.O=S(=O)(O)CCO
InChIInChI=1S/C8H17N.C2H6O4S/c1-9(2)8-6-4-3-5-7-8;3-1-2-7(4,5)6/h8H,3-7H2,1-2H3;3H,1-2H2,(H,4,5,6)
InChIKeyLCZMTQCRYDEYAF-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.75
Rot. Bonds3

About N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid

N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid (PubChem CID 137404718) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid.

Molecular Properties

Compound NameN,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid
PubChem CID137404718
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC NameN,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid
SMILESCN(C)C1CCCCC1.O=S(=O)(O)CCO
InChIInChI=1S/C8H17N.C2H6O4S/c1-9(2)8-6-4-3-5-7-8;3-1-2-7(4,5)6/h8H,3-7H2,1-2H3;3H,1-2H2,(H,4,5,6)
InChIKeyLCZMTQCRYDEYAF-UHFFFAOYSA-N
XLogP0.75
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-[Cyclohexyl(dimethyl)azaniumyl]oxypropane-1-sulfonate
CID 134994115
Hexyl-bis(2-hydroxyethyl)-(3-sulfopropyl)azanium
CID 18689241
Ethanesulfonic acid;1-piperidin-1-ylethanol
CID 87451338
2-Hydroxyethanesulfonic acid;1-methylpiperidine
CID 139410615
3-(Dicyclohexylamino)-2-hydroxypropane-1-sulfonic acid
CID 140410986
2-[1-(2-Hydroxyethyl)piperidin-2-yl]ethanesulfonic acid
CID 150409337
N,N-dimethylcyclohexanamine;3-hydroxypropane-1-sulfonic acid
CID 160323018
2-[Cyclohexyl(2-hydroxyethyl)amino]ethyl methanesulfonate
CID 168857901
N,N-diethylethanamine;N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid
CID 175143931
2-(Cyclohexylamino)ethanesulfonic acid;ethanol
CID 175383893
1-(Cyclohexylamino)ethanesulfonic acid;ethanol
CID 175383894
N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 54998852

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid?
The IUPAC name of N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid (CID 137404718) is N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid.
What is the SMILES notation for N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid?
The canonical SMILES for N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid is CN(C)C1CCCCC1.O=S(=O)(O)CCO.
What is the InChIKey of N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid?
The InChIKey is LCZMTQCRYDEYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H6O4S/c1-9(2)8-6-4-3-5-7-8;3-1-2-7(4,5)6/h8H,3-7H2,1-2H3;3H,1-2H2,(H,4,5,6).
What are the key properties of N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid?
N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid has a molecular weight of 253.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid is sourced from PubChem (CID 137404718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).