2-butyl-2-ethylmorpholin-4-ium chloride

C10H22ClNO — CID 171634137

IUPAC2-butyl-2-ethylmorpholin-4-ium chloride
SMILESCCCCC1(CC)C[NH2+]CCO1.[Cl-]
InChIInChI=1S/C10H21NO.ClH/c1-3-5-6-10(4-2)9-11-7-8-12-10;/h11H,3-9H2,1-2H3;1H
InChIKeyLHMLZZJCZDFDLP-UHFFFAOYSA-N
MW207.74 g/mol
LogP-2.08
Rot. Bonds4

About 2-butyl-2-ethylmorpholin-4-ium chloride

2-butyl-2-ethylmorpholin-4-ium chloride (PubChem CID 171634137) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is 2-butyl-2-ethylmorpholin-4-ium chloride.

Molecular Properties

Compound Name2-butyl-2-ethylmorpholin-4-ium chloride
PubChem CID171634137
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name2-butyl-2-ethylmorpholin-4-ium chloride
SMILESCCCCC1(CC)C[NH2+]CCO1.[Cl-]
InChIInChI=1S/C10H21NO.ClH/c1-3-5-6-10(4-2)9-11-7-8-12-10;/h11H,3-9H2,1-2H3;1H
InChIKeyLHMLZZJCZDFDLP-UHFFFAOYSA-N
XLogP-2.08
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 5-2.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethylmorpholin-4-ium chloride?
The IUPAC name of 2-butyl-2-ethylmorpholin-4-ium chloride (CID 171634137) is 2-butyl-2-ethylmorpholin-4-ium chloride.
What is the SMILES notation for 2-butyl-2-ethylmorpholin-4-ium chloride?
The canonical SMILES for 2-butyl-2-ethylmorpholin-4-ium chloride is CCCCC1(CC)C[NH2+]CCO1.[Cl-].
What is the InChIKey of 2-butyl-2-ethylmorpholin-4-ium chloride?
The InChIKey is LHMLZZJCZDFDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.ClH/c1-3-5-6-10(4-2)9-11-7-8-12-10;/h11H,3-9H2,1-2H3;1H.
What are the key properties of 2-butyl-2-ethylmorpholin-4-ium chloride?
2-butyl-2-ethylmorpholin-4-ium chloride has a molecular weight of 207.74 g/mol, XLogP of -2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethylmorpholin-4-ium chloride is sourced from PubChem (CID 171634137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).