2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol

C11H29N3O2 — CID 158446153

IUPAC2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol
SMILESCN(C)C.CN(C)CCO.CN1CC(O)C1
InChIInChI=1S/C4H9NO.C4H11NO.C3H9N/c1-5-2-4(6)3-5;1-5(2)3-4-6;1-4(2)3/h4,6H,2-3H2,1H3;6H,3-4H2,1-2H3;1-3H3
InChIKeyHDKNOYQZTMFOBI-UHFFFAOYSA-N
MW235.37 g/mol
LogP-0.99
Rot. Bonds2

About 2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol

2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol (PubChem CID 158446153) has the molecular formula C11H29N3O2 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol
PubChem CID158446153
Molecular FormulaC11H29N3O2
Molecular Weight235.37 g/mol
Exact Mass235.23
IUPAC Name2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol
SMILESCN(C)C.CN(C)CCO.CN1CC(O)C1
InChIInChI=1S/C4H9NO.C4H11NO.C3H9N/c1-5-2-4(6)3-5;1-5(2)3-4-6;1-4(2)3/h4,6H,2-3H2,1H3;6H,3-4H2,1-2H3;1-3H3
InChIKeyHDKNOYQZTMFOBI-UHFFFAOYSA-N
XLogP-0.99
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol?
The IUPAC name of 2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol (CID 158446153) is 2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol.
What is the SMILES notation for 2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol?
The canonical SMILES for 2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol is CN(C)C.CN(C)CCO.CN1CC(O)C1.
What is the InChIKey of 2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol?
The InChIKey is HDKNOYQZTMFOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H11NO.C3H9N/c1-5-2-4(6)3-5;1-5(2)3-4-6;1-4(2)3/h4,6H,2-3H2,1H3;6H,3-4H2,1-2H3;1-3H3.
What are the key properties of 2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol?
2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol has a molecular weight of 235.37 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol is sourced from PubChem (CID 158446153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).