2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol

C7H17NO2 — CID 21149627

IUPAC2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
SMILESCC(CO)N(C)C(C)(C)O
InChIInChI=1S/C7H17NO2/c1-6(5-9)8(4)7(2,3)10/h6,9-10H,5H2,1-4H3
InChIKeyGVPYQCRHYGKPDX-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.03
Rot. Bonds3

About 2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol

2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol (PubChem CID 21149627) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
PubChem CID21149627
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
SMILESCC(CO)N(C)C(C)(C)O
InChIInChI=1S/C7H17NO2/c1-6(5-9)8(4)7(2,3)10/h6,9-10H,5H2,1-4H3
InChIKeyGVPYQCRHYGKPDX-UHFFFAOYSA-N
XLogP0.03
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.03
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 2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The IUPAC name of 2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol (CID 21149627) is 2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol.
What is the SMILES notation for 2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The canonical SMILES for 2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol is CC(CO)N(C)C(C)(C)O.
What is the InChIKey of 2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The InChIKey is GVPYQCRHYGKPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(5-9)8(4)7(2,3)10/h6,9-10H,5H2,1-4H3.
What are the key properties of 2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol has a molecular weight of 147.22 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol is sourced from PubChem (CID 21149627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).