8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+)

C16H32NO3RbS — CID 23689803

IUPAC8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+)
SMILESCCC(CCCCCCNC1CCCCC1)CS(=O)(=O)[O-].[Rb+]
InChIInChI=1S/C16H33NO3S.Rb/c1-2-15(14-21(18,19)20)10-6-3-4-9-13-17-16-11-7-5-8-12-16;/h15-17H,2-14H2,1H3,(H,18,19,20);/q;+1/p-1
InChIKeyDVHPTOJEKHFVDU-UHFFFAOYSA-M
MW403.97 g/mol
LogP0.43
Rot. Bonds11

About 8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+)

8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+) (PubChem CID 23689803) has the molecular formula C16H32NO3RbS and a molecular weight of 403.97 g/mol. Its IUPAC name is 8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+).

Molecular Properties

Compound Name8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+)
PubChem CID23689803
Molecular FormulaC16H32NO3RbS
Molecular Weight403.97 g/mol
Exact Mass403.12
IUPAC Name8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+)
SMILESCCC(CCCCCCNC1CCCCC1)CS(=O)(=O)[O-].[Rb+]
InChIInChI=1S/C16H33NO3S.Rb/c1-2-15(14-21(18,19)20)10-6-3-4-9-13-17-16-11-7-5-8-12-16;/h15-17H,2-14H2,1H3,(H,18,19,20);/q;+1/p-1
InChIKeyDVHPTOJEKHFVDU-UHFFFAOYSA-M
XLogP0.43
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.97
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+)?
The IUPAC name of 8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+) (CID 23689803) is 8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+).
What is the SMILES notation for 8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+)?
The canonical SMILES for 8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+) is CCC(CCCCCCNC1CCCCC1)CS(=O)(=O)[O-].[Rb+].
What is the InChIKey of 8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+)?
The InChIKey is DVHPTOJEKHFVDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H33NO3S.Rb/c1-2-15(14-21(18,19)20)10-6-3-4-9-13-17-16-11-7-5-8-12-16;/h15-17H,2-14H2,1H3,(H,18,19,20);/q;+1/p-1.
What are the key properties of 8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+)?
8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+) has a molecular weight of 403.97 g/mol, XLogP of 0.43, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+) is sourced from PubChem (CID 23689803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).