1-(methylamino)-2-propoxypropan-2-ol

C7H17NO2 — CID 88554257

IUPAC1-(methylamino)-2-propoxypropan-2-ol
SMILESCCCOC(C)(O)CNC
InChIInChI=1S/C7H17NO2/c1-4-5-10-7(2,9)6-8-3/h8-9H,4-6H2,1-3H3
InChIKeyOSXARWGORUBUOZ-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.34
Rot. Bonds5

About 1-(methylamino)-2-propoxypropan-2-ol

1-(methylamino)-2-propoxypropan-2-ol (PubChem CID 88554257) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-(methylamino)-2-propoxypropan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-2-propoxypropan-2-ol
PubChem CID88554257
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-(methylamino)-2-propoxypropan-2-ol
SMILESCCCOC(C)(O)CNC
InChIInChI=1S/C7H17NO2/c1-4-5-10-7(2,9)6-8-3/h8-9H,4-6H2,1-3H3
InChIKeyOSXARWGORUBUOZ-UHFFFAOYSA-N
XLogP0.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-propoxypropan-2-ol?
The IUPAC name of 1-(methylamino)-2-propoxypropan-2-ol (CID 88554257) is 1-(methylamino)-2-propoxypropan-2-ol.
What is the SMILES notation for 1-(methylamino)-2-propoxypropan-2-ol?
The canonical SMILES for 1-(methylamino)-2-propoxypropan-2-ol is CCCOC(C)(O)CNC.
What is the InChIKey of 1-(methylamino)-2-propoxypropan-2-ol?
The InChIKey is OSXARWGORUBUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-4-5-10-7(2,9)6-8-3/h8-9H,4-6H2,1-3H3.
What are the key properties of 1-(methylamino)-2-propoxypropan-2-ol?
1-(methylamino)-2-propoxypropan-2-ol has a molecular weight of 147.22 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-propoxypropan-2-ol is sourced from PubChem (CID 88554257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).