2-[ethyl(hydroxymethyl)amino]propan-2-ol

C6H15NO2 — CID 87329716

IUPAC2-[ethyl(hydroxymethyl)amino]propan-2-ol
SMILESCCN(CO)C(C)(C)O
InChIInChI=1S/C6H15NO2/c1-4-7(5-8)6(2,3)9/h8-9H,4-5H2,1-3H3
InChIKeyXYUNQCAHCKKNOS-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.01
Rot. Bonds3

About 2-[ethyl(hydroxymethyl)amino]propan-2-ol

2-[ethyl(hydroxymethyl)amino]propan-2-ol (PubChem CID 87329716) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-[ethyl(hydroxymethyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-[ethyl(hydroxymethyl)amino]propan-2-ol
PubChem CID87329716
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-[ethyl(hydroxymethyl)amino]propan-2-ol
SMILESCCN(CO)C(C)(C)O
InChIInChI=1S/C6H15NO2/c1-4-7(5-8)6(2,3)9/h8-9H,4-5H2,1-3H3
InChIKeyXYUNQCAHCKKNOS-UHFFFAOYSA-N
XLogP-0.01
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.01
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-[ethyl(hydroxymethyl)amino]propan-2-ol?
The IUPAC name of 2-[ethyl(hydroxymethyl)amino]propan-2-ol (CID 87329716) is 2-[ethyl(hydroxymethyl)amino]propan-2-ol.
What is the SMILES notation for 2-[ethyl(hydroxymethyl)amino]propan-2-ol?
The canonical SMILES for 2-[ethyl(hydroxymethyl)amino]propan-2-ol is CCN(CO)C(C)(C)O.
What is the InChIKey of 2-[ethyl(hydroxymethyl)amino]propan-2-ol?
The InChIKey is XYUNQCAHCKKNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-4-7(5-8)6(2,3)9/h8-9H,4-5H2,1-3H3.
What are the key properties of 2-[ethyl(hydroxymethyl)amino]propan-2-ol?
2-[ethyl(hydroxymethyl)amino]propan-2-ol has a molecular weight of 133.19 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(hydroxymethyl)amino]propan-2-ol is sourced from PubChem (CID 87329716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).