2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol

C17H36NO2+ — CID 25101794

IUPAC2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol
SMILESCCCC(CCC)CCCC1COCC[N+]1(C)CCO
InChIInChI=1S/C17H36NO2/c1-4-7-16(8-5-2)9-6-10-17-15-20-14-12-18(17,3)11-13-19/h16-17,19H,4-15H2,1-3H3/q+1
InChIKeyUUMRFISVVXTGGN-UHFFFAOYSA-N
MW286.48 g/mol
LogP3.21
Rot. Bonds10

About 2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol

2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol (PubChem CID 25101794) has the molecular formula C17H36NO2+ and a molecular weight of 286.48 g/mol. Its IUPAC name is 2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol
PubChem CID25101794
Molecular FormulaC17H36NO2+
Molecular Weight286.48 g/mol
Exact Mass286.27
IUPAC Name2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol
SMILESCCCC(CCC)CCCC1COCC[N+]1(C)CCO
InChIInChI=1S/C17H36NO2/c1-4-7-16(8-5-2)9-6-10-17-15-20-14-12-18(17,3)11-13-19/h16-17,19H,4-15H2,1-3H3/q+1
InChIKeyUUMRFISVVXTGGN-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol?
The IUPAC name of 2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol (CID 25101794) is 2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol.
What is the SMILES notation for 2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol?
The canonical SMILES for 2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol is CCCC(CCC)CCCC1COCC[N+]1(C)CCO.
What is the InChIKey of 2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol?
The InChIKey is UUMRFISVVXTGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36NO2/c1-4-7-16(8-5-2)9-6-10-17-15-20-14-12-18(17,3)11-13-19/h16-17,19H,4-15H2,1-3H3/q+1.
What are the key properties of 2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol?
2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol has a molecular weight of 286.48 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(4-propylheptyl)morpholin-4-ium-4-yl]ethanol is sourced from PubChem (CID 25101794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).