2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol

C13H20N2O2 — CID 54994646

IUPAC2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
SMILESOCCN(c1ccc(CO)cn1)C1CCCC1
InChIInChI=1S/C13H20N2O2/c16-8-7-15(12-3-1-2-4-12)13-6-5-11(10-17)9-14-13/h5-6,9,12,16-17H,1-4,7-8,10H2
InChIKeyUNNZMIQPSFJFAG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.32
Rot. Bonds5

About 2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol

2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol (PubChem CID 54994646) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
PubChem CID54994646
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
SMILESOCCN(c1ccc(CO)cn1)C1CCCC1
InChIInChI=1S/C13H20N2O2/c16-8-7-15(12-3-1-2-4-12)13-6-5-11(10-17)9-14-13/h5-6,9,12,16-17H,1-4,7-8,10H2
InChIKeyUNNZMIQPSFJFAG-UHFFFAOYSA-N
XLogP1.32
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol (CID 54994646) is 2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol is OCCN(c1ccc(CO)cn1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is UNNZMIQPSFJFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-8-7-15(12-3-1-2-4-12)13-6-5-11(10-17)9-14-13/h5-6,9,12,16-17H,1-4,7-8,10H2.
What are the key properties of 2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol?
2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 54994646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).