amino(trimethyl)azanium;2-methoxyethanamine;chloride

C6H20ClN3O — CID 174652181

IUPACamino(trimethyl)azanium;2-methoxyethanamine;chloride
SMILESCOCCN.C[N+](C)(C)N.[Cl-]
InChIInChI=1S/C3H11N2.C3H9NO.ClH/c1-5(2,3)4;1-5-3-2-4;/h4H2,1-3H3;2-4H2,1H3;1H/q+1;;/p-1
InChIKeyNLKXMMUNZBCMCY-UHFFFAOYSA-M
MW185.70 g/mol
LogP-3.84
Rot. Bonds2

About amino(trimethyl)azanium;2-methoxyethanamine;chloride

amino(trimethyl)azanium;2-methoxyethanamine;chloride (PubChem CID 174652181) has the molecular formula C6H20ClN3O and a molecular weight of 185.70 g/mol. Its IUPAC name is amino(trimethyl)azanium;2-methoxyethanamine;chloride.

Molecular Properties

Compound Nameamino(trimethyl)azanium;2-methoxyethanamine;chloride
PubChem CID174652181
Molecular FormulaC6H20ClN3O
Molecular Weight185.70 g/mol
Exact Mass185.13
IUPAC Nameamino(trimethyl)azanium;2-methoxyethanamine;chloride
SMILESCOCCN.C[N+](C)(C)N.[Cl-]
InChIInChI=1S/C3H11N2.C3H9NO.ClH/c1-5(2,3)4;1-5-3-2-4;/h4H2,1-3H3;2-4H2,1H3;1H/q+1;;/p-1
InChIKeyNLKXMMUNZBCMCY-UHFFFAOYSA-M
XLogP-3.84
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 5-3.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylmethanamine;2-methoxyethanamine
CID 172823612
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
CID 146502612
methanamine;2-(2-methoxyethoxy)ethanamine
CID 145171254
2-(2-methoxyethoxymethoxy)ethanamine
CID 19350391
azane;3-methoxypropan-1-amine
CID 172866087
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
2-methoxyethanamine;2-methylprop-2-enal
CID 144696365
2-methoxyethanamine;toluene
CID 91320732
1,2-dimethoxyethane;nickel(2+);dichloride
CID 22904217
magnesium;1,2-dimethoxyethane;dichloride
CID 174702876
2-(3-methoxypropoxy)ethanamine;hydrochloride
CID 86645457

Frequently Asked Questions

What is the IUPAC name of amino(trimethyl)azanium;2-methoxyethanamine;chloride?
The IUPAC name of amino(trimethyl)azanium;2-methoxyethanamine;chloride (CID 174652181) is amino(trimethyl)azanium;2-methoxyethanamine;chloride.
What is the SMILES notation for amino(trimethyl)azanium;2-methoxyethanamine;chloride?
The canonical SMILES for amino(trimethyl)azanium;2-methoxyethanamine;chloride is COCCN.C[N+](C)(C)N.[Cl-].
What is the InChIKey of amino(trimethyl)azanium;2-methoxyethanamine;chloride?
The InChIKey is NLKXMMUNZBCMCY-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H11N2.C3H9NO.ClH/c1-5(2,3)4;1-5-3-2-4;/h4H2,1-3H3;2-4H2,1H3;1H/q+1;;/p-1.
What are the key properties of amino(trimethyl)azanium;2-methoxyethanamine;chloride?
amino(trimethyl)azanium;2-methoxyethanamine;chloride has a molecular weight of 185.70 g/mol, XLogP of -3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(trimethyl)azanium;2-methoxyethanamine;chloride is sourced from PubChem (CID 174652181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).