2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol

C11H22N2O — CID 65235169

IUPAC2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol
SMILESCCNC1(CCO)CCN(C2CC2)C1
InChIInChI=1S/C11H22N2O/c1-2-12-11(6-8-14)5-7-13(9-11)10-3-4-10/h10,12,14H,2-9H2,1H3
InChIKeyPOKZZDSIQVGPIS-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.59
Rot. Bonds5

About 2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol

2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol (PubChem CID 65235169) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol
PubChem CID65235169
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol
SMILESCCNC1(CCO)CCN(C2CC2)C1
InChIInChI=1S/C11H22N2O/c1-2-12-11(6-8-14)5-7-13(9-11)10-3-4-10/h10,12,14H,2-9H2,1H3
InChIKeyPOKZZDSIQVGPIS-UHFFFAOYSA-N
XLogP0.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol (CID 65235169) is 2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol is CCNC1(CCO)CCN(C2CC2)C1.
What is the InChIKey of 2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol?
The InChIKey is POKZZDSIQVGPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-12-11(6-8-14)5-7-13(9-11)10-3-4-10/h10,12,14H,2-9H2,1H3.
What are the key properties of 2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol?
2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol has a molecular weight of 198.31 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 65235169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).