2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol

C9H21NO4 — CID 103181539

IUPAC2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol
SMILESCOCCCOCCOCC(N)CO
InChIInChI=1S/C9H21NO4/c1-12-3-2-4-13-5-6-14-8-9(10)7-11/h9,11H,2-8,10H2,1H3
InChIKeyOMQLOVVNPQRTDH-UHFFFAOYSA-N
MW207.27 g/mol
LogP-0.62
Rot. Bonds10

About 2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol

2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol (PubChem CID 103181539) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol
PubChem CID103181539
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol
SMILESCOCCCOCCOCC(N)CO
InChIInChI=1S/C9H21NO4/c1-12-3-2-4-13-5-6-14-8-9(10)7-11/h9,11H,2-8,10H2,1H3
InChIKeyOMQLOVVNPQRTDH-UHFFFAOYSA-N
XLogP-0.62
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 112704571
2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol
CID 104567836
(2S)-2-amino-3-butoxypropan-1-ol
CID 89011091
2-amino-3-(3-hydroxypropoxy)propan-1-ol
CID 130579095
(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103179631
2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104567674
1-(2-butoxyethoxy)-3-methoxypropan-2-amine
CID 107506709
2-amino-3-[3-(2-methoxyethoxy)propoxy]propanamide
CID 103400791
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol
CID 103185077
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
2-(3-methoxypropoxy)ethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 103178228

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol?
The IUPAC name of 2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol (CID 103181539) is 2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol?
The canonical SMILES for 2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol is COCCCOCCOCC(N)CO.
What is the InChIKey of 2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol?
The InChIKey is OMQLOVVNPQRTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4/c1-12-3-2-4-13-5-6-14-8-9(10)7-11/h9,11H,2-8,10H2,1H3.
What are the key properties of 2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol?
2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol has a molecular weight of 207.27 g/mol, XLogP of -0.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol is sourced from PubChem (CID 103181539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).