1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol

C10H23NO4 — CID 103407606

IUPAC1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol
SMILESCOCCOCCCOCCC(O)CN
InChIInChI=1S/C10H23NO4/c1-13-7-8-15-5-2-4-14-6-3-10(12)9-11/h10,12H,2-9,11H2,1H3
InChIKeyQYWMJXKEMCZTEG-UHFFFAOYSA-N
MW221.30 g/mol
LogP-0.23
Rot. Bonds11

About 1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol

1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol (PubChem CID 103407606) has the molecular formula C10H23NO4 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol.

Molecular Properties

Compound Name1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol
PubChem CID103407606
Molecular FormulaC10H23NO4
Molecular Weight221.30 g/mol
Exact Mass221.16
IUPAC Name1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol
SMILESCOCCOCCCOCCC(O)CN
InChIInChI=1S/C10H23NO4/c1-13-7-8-15-5-2-4-14-6-3-10(12)9-11/h10,12H,2-9,11H2,1H3
InChIKeyQYWMJXKEMCZTEG-UHFFFAOYSA-N
XLogP-0.23
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 5-0.23
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

1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
CID 177262211
2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
CID 146320426
2-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]ethanamine
CID 103482612
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol
CID 177262274
1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol
CID 123384991
4-(2-methoxyethoxy)butan-2-ol
CID 21045149
5-(2-methoxyethoxy)-2-propan-2-ylpentan-1-amine
CID 103412271
1-(2-methoxyethoxy)hept-6-yn-3-ol
CID 102927511
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
CID 103406276
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol?
The IUPAC name of 1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol (CID 103407606) is 1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol.
What is the SMILES notation for 1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol?
The canonical SMILES for 1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol is COCCOCCCOCCC(O)CN.
What is the InChIKey of 1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol?
The InChIKey is QYWMJXKEMCZTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4/c1-13-7-8-15-5-2-4-14-6-3-10(12)9-11/h10,12H,2-9,11H2,1H3.
What are the key properties of 1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol?
1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol has a molecular weight of 221.30 g/mol, XLogP of -0.23, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol is sourced from PubChem (CID 103407606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).