2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol

C10H22N2O — CID 65235319

IUPAC2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol
SMILESCCCNC1(CCO)CCN(C)C1
InChIInChI=1S/C10H22N2O/c1-3-6-11-10(5-8-13)4-7-12(2)9-10/h11,13H,3-9H2,1-2H3
InChIKeyAIGWFOTWXVSULC-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.44
Rot. Bonds5

About 2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol

2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol (PubChem CID 65235319) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol
PubChem CID65235319
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol
SMILESCCCNC1(CCO)CCN(C)C1
InChIInChI=1S/C10H22N2O/c1-3-6-11-10(5-8-13)4-7-12(2)9-10/h11,13H,3-9H2,1-2H3
InChIKeyAIGWFOTWXVSULC-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol (CID 65235319) is 2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol is CCCNC1(CCO)CCN(C)C1.
What is the InChIKey of 2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol?
The InChIKey is AIGWFOTWXVSULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-6-11-10(5-8-13)4-7-12(2)9-10/h11,13H,3-9H2,1-2H3.
What are the key properties of 2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol?
2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol has a molecular weight of 186.30 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(propylamino)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 65235319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).