1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol

C15H25N3O — CID 112626053

IUPAC1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCCNC(C)c1ccc(N2CCC(C(C)O)C2)nc1
InChIInChI=1S/C15H25N3O/c1-4-16-11(2)13-5-6-15(17-9-13)18-8-7-14(10-18)12(3)19/h5-6,9,11-12,14,16,19H,4,7-8,10H2,1-3H3
InChIKeyVEIZKDCQTUESNX-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.96
Rot. Bonds5

About 1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol

1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol (PubChem CID 112626053) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
PubChem CID112626053
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCCNC(C)c1ccc(N2CCC(C(C)O)C2)nc1
InChIInChI=1S/C15H25N3O/c1-4-16-11(2)13-5-6-15(17-9-13)18-8-7-14(10-18)12(3)19/h5-6,9,11-12,14,16,19H,4,7-8,10H2,1-3H3
InChIKeyVEIZKDCQTUESNX-UHFFFAOYSA-N
XLogP1.96
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol (CID 112626053) is 1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol is CCNC(C)c1ccc(N2CCC(C(C)O)C2)nc1.
What is the InChIKey of 1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The InChIKey is VEIZKDCQTUESNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-16-11(2)13-5-6-15(17-9-13)18-8-7-14(10-18)12(3)19/h5-6,9,11-12,14,16,19H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol?
1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112626053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).