2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol

C9H21NO4 — CID 104567674

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

About 2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol

2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol (PubChem CID 104567674) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol.

Molecular Properties

Compound Name2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
PubChem CID104567674
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
SMILESCOCCOCCOCCC(N)CO
InChIInChI=1S/C9H21NO4/c1-12-4-5-14-7-6-13-3-2-9(10)8-11/h9,11H,2-8,10H2,1H3
InChIKeyXNQNPRDJUSHSNS-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
(2S)-2-amino-4-ethoxybutan-1-ol
CID 55285759
1-ethoxy-4-(2-methoxyethoxy)butan-2-amine
CID 102927951
2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol
CID 103181539
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
CID 162081767
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567739
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416
4-(2-methoxyethoxy)butan-2-ol
CID 21045149
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate
CID 58205614
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate
CID 114005284
2-(2-methoxyethoxy)ethyl (2R)-2-amino-4-hydroxybutanoate
CID 107825427

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
The IUPAC name of 2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol (CID 104567674) is 2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol.
What is the SMILES notation for 2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
The canonical SMILES for 2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol is COCCOCCOCCC(N)CO.
What is the InChIKey of 2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
The InChIKey is XNQNPRDJUSHSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4/c1-12-4-5-14-7-6-13-3-2-9(10)8-11/h9,11H,2-8,10H2,1H3.
What are the key properties of 2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-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-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol is sourced from PubChem (CID 104567674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).