hydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium

C9H22NO3+ — CID 59544809

IUPAChydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium
SMILESCC(C)OCCOCC[N+](C)(C)O
InChIInChI=1S/C9H22NO3/c1-9(2)13-8-7-12-6-5-10(3,4)11/h9,11H,5-8H2,1-4H3/q+1
InChIKeyFUSVBYCRKDGXPL-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.89
Rot. Bonds7

About hydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium

hydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium (PubChem CID 59544809) has the molecular formula C9H22NO3+ and a molecular weight of 192.28 g/mol. Its IUPAC name is hydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium.

Molecular Properties

Compound Namehydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium
PubChem CID59544809
Molecular FormulaC9H22NO3+
Molecular Weight192.28 g/mol
Exact Mass192.16
IUPAC Namehydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium
SMILESCC(C)OCCOCC[N+](C)(C)O
InChIInChI=1S/C9H22NO3/c1-9(2)13-8-7-12-6-5-10(3,4)11/h9,11H,5-8H2,1-4H3/q+1
InChIKeyFUSVBYCRKDGXPL-UHFFFAOYSA-N
XLogP0.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347
1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
CID 130291288
1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane
CID 54403721
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-one
CID 170040791
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 167653793
2-[2-(iodomethoxy)ethoxy]propane
CID 118312444
2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride
CID 71371862
boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane
CID 175110139

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium?
The IUPAC name of hydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium (CID 59544809) is hydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium.
What is the SMILES notation for hydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium?
The canonical SMILES for hydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium is CC(C)OCCOCC[N+](C)(C)O.
What is the InChIKey of hydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium?
The InChIKey is FUSVBYCRKDGXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO3/c1-9(2)13-8-7-12-6-5-10(3,4)11/h9,11H,5-8H2,1-4H3/q+1.
What are the key properties of hydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium?
hydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium has a molecular weight of 192.28 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium is sourced from PubChem (CID 59544809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).