1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol

C10H23NO3 — CID 112590474

IUPAC1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
SMILESCC(O)(CN)COCCOC(C)(C)C
InChIInChI=1S/C10H23NO3/c1-9(2,3)14-6-5-13-8-10(4,12)7-11/h12H,5-8,11H2,1-4H3
InChIKeyAASOKKGIIILYNN-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.53
Rot. Bonds6

About 1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol

1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol (PubChem CID 112590474) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
PubChem CID112590474
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
SMILESCC(O)(CN)COCCOC(C)(C)C
InChIInChI=1S/C10H23NO3/c1-9(2,3)14-6-5-13-8-10(4,12)7-11/h12H,5-8,11H2,1-4H3
InChIKeyAASOKKGIIILYNN-UHFFFAOYSA-N
XLogP0.53
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol (CID 112590474) is 1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol is CC(O)(CN)COCCOC(C)(C)C.
What is the InChIKey of 1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol?
The InChIKey is AASOKKGIIILYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-9(2,3)14-6-5-13-8-10(4,12)7-11/h12H,5-8,11H2,1-4H3.
What are the key properties of 1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol?
1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol is sourced from PubChem (CID 112590474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).