2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride

C9H21ClN2O — CID 67309791

IUPAC2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride
SMILESCC(C)(N)C[N+]1(C)CCOCC1.[Cl-]
InChIInChI=1S/C9H21N2O.ClH/c1-9(2,10)8-11(3)4-6-12-7-5-11;/h4-8,10H2,1-3H3;1H/q+1;/p-1
InChIKeyFUILESZZJGTFIB-UHFFFAOYSA-M
MW208.73 g/mol
LogP-2.80
Rot. Bonds2

About 2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride

2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride (PubChem CID 67309791) has the molecular formula C9H21ClN2O and a molecular weight of 208.73 g/mol. Its IUPAC name is 2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride.

Molecular Properties

Compound Name2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride
PubChem CID67309791
Molecular FormulaC9H21ClN2O
Molecular Weight208.73 g/mol
Exact Mass208.13
IUPAC Name2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride
SMILESCC(C)(N)C[N+]1(C)CCOCC1.[Cl-]
InChIInChI=1S/C9H21N2O.ClH/c1-9(2,10)8-11(3)4-6-12-7-5-11;/h4-8,10H2,1-3H3;1H/q+1;/p-1
InChIKeyFUILESZZJGTFIB-UHFFFAOYSA-M
XLogP-2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 5-2.80
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-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride?
The IUPAC name of 2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride (CID 67309791) is 2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride.
What is the SMILES notation for 2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride?
The canonical SMILES for 2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride is CC(C)(N)C[N+]1(C)CCOCC1.[Cl-].
What is the InChIKey of 2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride?
The InChIKey is FUILESZZJGTFIB-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H21N2O.ClH/c1-9(2,10)8-11(3)4-6-12-7-5-11;/h4-8,10H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride?
2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride has a molecular weight of 208.73 g/mol, XLogP of -2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylmorpholin-4-ium-4-yl)propan-2-amine chloride is sourced from PubChem (CID 67309791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).