2,2-dimethylmorpholin-4-ium chloride

C6H14ClNO — CID 67505740

IUPAC2,2-dimethylmorpholin-4-ium chloride
SMILESCC1(C)C[NH2+]CCO1.[Cl-]
InChIInChI=1S/C6H13NO.ClH/c1-6(2)5-7-3-4-8-6;/h7H,3-5H2,1-2H3;1H
InChIKeyBVVMNSNLWMCMOP-UHFFFAOYSA-N
MW151.64 g/mol
LogP-3.64
Rot. Bonds

About 2,2-dimethylmorpholin-4-ium chloride

2,2-dimethylmorpholin-4-ium chloride (PubChem CID 67505740) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 2,2-dimethylmorpholin-4-ium chloride.

Molecular Properties

Compound Name2,2-dimethylmorpholin-4-ium chloride
PubChem CID67505740
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name2,2-dimethylmorpholin-4-ium chloride
SMILESCC1(C)C[NH2+]CCO1.[Cl-]
InChIInChI=1S/C6H13NO.ClH/c1-6(2)5-7-3-4-8-6;/h7H,3-5H2,1-2H3;1H
InChIKeyBVVMNSNLWMCMOP-UHFFFAOYSA-N
XLogP-3.64
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 5-3.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylmorpholin-4-ium chloride?
The IUPAC name of 2,2-dimethylmorpholin-4-ium chloride (CID 67505740) is 2,2-dimethylmorpholin-4-ium chloride.
What is the SMILES notation for 2,2-dimethylmorpholin-4-ium chloride?
The canonical SMILES for 2,2-dimethylmorpholin-4-ium chloride is CC1(C)C[NH2+]CCO1.[Cl-].
What is the InChIKey of 2,2-dimethylmorpholin-4-ium chloride?
The InChIKey is BVVMNSNLWMCMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-6(2)5-7-3-4-8-6;/h7H,3-5H2,1-2H3;1H.
What are the key properties of 2,2-dimethylmorpholin-4-ium chloride?
2,2-dimethylmorpholin-4-ium chloride has a molecular weight of 151.64 g/mol, XLogP of -3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylmorpholin-4-ium chloride is sourced from PubChem (CID 67505740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).