2-(diethylaminomethyl)-2-ethylpropane-1,3-diol

C10H23NO2 — CID 18979315

IUPAC2-(diethylaminomethyl)-2-ethylpropane-1,3-diol
SMILESCCN(CC)CC(CC)(CO)CO
InChIInChI=1S/C10H23NO2/c1-4-10(8-12,9-13)7-11(5-2)6-3/h12-13H,4-9H2,1-3H3
InChIKeyNJYOAXKKIWINHK-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.71
Rot. Bonds7

About 2-(diethylaminomethyl)-2-ethylpropane-1,3-diol

2-(diethylaminomethyl)-2-ethylpropane-1,3-diol (PubChem CID 18979315) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-(diethylaminomethyl)-2-ethylpropane-1,3-diol
PubChem CID18979315
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-(diethylaminomethyl)-2-ethylpropane-1,3-diol
SMILESCCN(CC)CC(CC)(CO)CO
InChIInChI=1S/C10H23NO2/c1-4-10(8-12,9-13)7-11(5-2)6-3/h12-13H,4-9H2,1-3H3
InChIKeyNJYOAXKKIWINHK-UHFFFAOYSA-N
XLogP0.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-2-ethylpropane-1,3-diol?
The IUPAC name of 2-(diethylaminomethyl)-2-ethylpropane-1,3-diol (CID 18979315) is 2-(diethylaminomethyl)-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-(diethylaminomethyl)-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-(diethylaminomethyl)-2-ethylpropane-1,3-diol is CCN(CC)CC(CC)(CO)CO.
What is the InChIKey of 2-(diethylaminomethyl)-2-ethylpropane-1,3-diol?
The InChIKey is NJYOAXKKIWINHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-10(8-12,9-13)7-11(5-2)6-3/h12-13H,4-9H2,1-3H3.
What are the key properties of 2-(diethylaminomethyl)-2-ethylpropane-1,3-diol?
2-(diethylaminomethyl)-2-ethylpropane-1,3-diol has a molecular weight of 189.30 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-2-ethylpropane-1,3-diol is sourced from PubChem (CID 18979315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).