[4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium

C16H35N2O5+ — CID 67684811

IUPAC[4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium
SMILESOCCN(CCO)C1CCC([N+](CCO)(CCO)CCO)CC1
InChIInChI=1S/C16H35N2O5/c19-10-5-17(6-11-20)15-1-3-16(4-2-15)18(7-12-21,8-13-22)9-14-23/h15-16,19-23H,1-14H2/q+1
InChIKeyCPRIKELJIKCSKU-UHFFFAOYSA-N
MW335.47 g/mol
LogP-1.62
Rot. Bonds12

About [4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium

[4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium (PubChem CID 67684811) has the molecular formula C16H35N2O5+ and a molecular weight of 335.47 g/mol. Its IUPAC name is [4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name[4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium
PubChem CID67684811
Molecular FormulaC16H35N2O5+
Molecular Weight335.47 g/mol
Exact Mass335.25
IUPAC Name[4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium
SMILESOCCN(CCO)C1CCC([N+](CCO)(CCO)CCO)CC1
InChIInChI=1S/C16H35N2O5/c19-10-5-17(6-11-20)15-1-3-16(4-2-15)18(7-12-21,8-13-22)9-14-23/h15-16,19-23H,1-14H2/q+1
InChIKeyCPRIKELJIKCSKU-UHFFFAOYSA-N
XLogP-1.62
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 5-1.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium?
The IUPAC name of [4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium (CID 67684811) is [4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium.
What is the SMILES notation for [4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium?
The canonical SMILES for [4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium is OCCN(CCO)C1CCC([N+](CCO)(CCO)CCO)CC1.
What is the InChIKey of [4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium?
The InChIKey is CPRIKELJIKCSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N2O5/c19-10-5-17(6-11-20)15-1-3-16(4-2-15)18(7-12-21,8-13-22)9-14-23/h15-16,19-23H,1-14H2/q+1.
What are the key properties of [4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium?
[4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium has a molecular weight of 335.47 g/mol, XLogP of -1.62, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(2-hydroxyethyl)amino]cyclohexyl]-tris(2-hydroxyethyl)azanium is sourced from PubChem (CID 67684811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).