2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol

C9H16N2O — CID 19041118

IUPAC2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol
SMILESCN(C)C(CO)C1C=CC=CN1
InChIInChI=1S/C9H16N2O/c1-11(2)9(7-12)8-5-3-4-6-10-8/h3-6,8-10,12H,7H2,1-2H3
InChIKeyWWSBOFOSGDCJQU-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.05
Rot. Bonds3

About 2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol

2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol (PubChem CID 19041118) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol
PubChem CID19041118
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol
SMILESCN(C)C(CO)C1C=CC=CN1
InChIInChI=1S/C9H16N2O/c1-11(2)9(7-12)8-5-3-4-6-10-8/h3-6,8-10,12H,7H2,1-2H3
InChIKeyWWSBOFOSGDCJQU-UHFFFAOYSA-N
XLogP-0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol?
The IUPAC name of 2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol (CID 19041118) is 2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol.
What is the SMILES notation for 2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol?
The canonical SMILES for 2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol is CN(C)C(CO)C1C=CC=CN1.
What is the InChIKey of 2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol?
The InChIKey is WWSBOFOSGDCJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11(2)9(7-12)8-5-3-4-6-10-8/h3-6,8-10,12H,7H2,1-2H3.
What are the key properties of 2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol?
2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol has a molecular weight of 168.24 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-2-yl)-2-(dimethylamino)ethanol is sourced from PubChem (CID 19041118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).