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

C11H23NO4 — CID 114358393

IUPAC3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
SMILESCOCCOCCOC(CO)C(N)C1CC1
InChIInChI=1S/C11H23NO4/c1-14-4-5-15-6-7-16-10(8-13)11(12)9-2-3-9/h9-11,13H,2-8,12H2,1H3
InChIKeyDBQYBOKFIHACCY-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.24
Rot. Bonds10

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

3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol (PubChem CID 114358393) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
PubChem CID114358393
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
SMILESCOCCOCCOC(CO)C(N)C1CC1
InChIInChI=1S/C11H23NO4/c1-14-4-5-15-6-7-16-10(8-13)11(12)9-2-3-9/h9-11,13H,2-8,12H2,1H3
InChIKeyDBQYBOKFIHACCY-UHFFFAOYSA-N
XLogP-0.24
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.24
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

3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 114358390
3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol
CID 114358392
3-amino-3-cyclopropyl-2-(2-ethylhexoxy)propan-1-ol
CID 114358104
methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate
CID 103176640
2-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57080200
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-1-ol
CID 78062387
2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104567674
2-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 112704571
2-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57305143
2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate
CID 103178767
2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane
CID 90747134
1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane-1,2-diol
CID 155319585

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol (CID 114358393) is 3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol is COCCOCCOC(CO)C(N)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol?
The InChIKey is DBQYBOKFIHACCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-14-4-5-15-6-7-16-10(8-13)11(12)9-2-3-9/h9-11,13H,2-8,12H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol?
3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol has a molecular weight of 233.31 g/mol, XLogP of -0.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol is sourced from PubChem (CID 114358393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).