2,2-bis(dimethylamino)ethanol

C6H16N2O — CID 57031094

IUPAC2,2-bis(dimethylamino)ethanol
SMILESCN(C)C(CO)N(C)C
InChIInChI=1S/C6H16N2O/c1-7(2)6(5-9)8(3)4/h6,9H,5H2,1-4H3
InChIKeyOJBYWILMQGOTSF-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.57
Rot. Bonds3

About 2,2-bis(dimethylamino)ethanol

2,2-bis(dimethylamino)ethanol (PubChem CID 57031094) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 2,2-bis(dimethylamino)ethanol.

Molecular Properties

Compound Name2,2-bis(dimethylamino)ethanol
PubChem CID57031094
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name2,2-bis(dimethylamino)ethanol
SMILESCN(C)C(CO)N(C)C
InChIInChI=1S/C6H16N2O/c1-7(2)6(5-9)8(3)4/h6,9H,5H2,1-4H3
InChIKeyOJBYWILMQGOTSF-UHFFFAOYSA-N
XLogP-0.57
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
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-bis(dimethylamino)ethanol?
The IUPAC name of 2,2-bis(dimethylamino)ethanol (CID 57031094) is 2,2-bis(dimethylamino)ethanol.
What is the SMILES notation for 2,2-bis(dimethylamino)ethanol?
The canonical SMILES for 2,2-bis(dimethylamino)ethanol is CN(C)C(CO)N(C)C.
What is the InChIKey of 2,2-bis(dimethylamino)ethanol?
The InChIKey is OJBYWILMQGOTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-7(2)6(5-9)8(3)4/h6,9H,5H2,1-4H3.
What are the key properties of 2,2-bis(dimethylamino)ethanol?
2,2-bis(dimethylamino)ethanol has a molecular weight of 132.21 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(dimethylamino)ethanol is sourced from PubChem (CID 57031094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).