2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol

C9H20N2O — CID 142855754

IUPAC2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol
SMILESCNC(CO)C1CCC(C)N1C
InChIInChI=1S/C9H20N2O/c1-7-4-5-9(11(7)3)8(6-12)10-2/h7-10,12H,4-6H2,1-3H3
InChIKeyNGPINWKSDVCFKX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds3

About 2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol

2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol (PubChem CID 142855754) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol
PubChem CID142855754
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol
SMILESCNC(CO)C1CCC(C)N1C
InChIInChI=1S/C9H20N2O/c1-7-4-5-9(11(7)3)8(6-12)10-2/h7-10,12H,4-6H2,1-3H3
InChIKeyNGPINWKSDVCFKX-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol?
The IUPAC name of 2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol (CID 142855754) is 2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol?
The canonical SMILES for 2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol is CNC(CO)C1CCC(C)N1C.
What is the InChIKey of 2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol?
The InChIKey is NGPINWKSDVCFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7-4-5-9(11(7)3)8(6-12)10-2/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol?
2-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol has a molecular weight of 172.27 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-(1,5-dimethylpyrrolidin-2-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 142855754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).