2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol

C10H16N2O — CID 155007002

IUPAC2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(CCN)n1
InChIInChI=1S/C10H16N2O/c1-10(2,13)9-5-3-4-8(12-9)6-7-11/h3-5,13H,6-7,11H2,1-2H3
InChIKeyJPEXVBITMDQATR-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.81
Rot. Bonds3

About 2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol

2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol (PubChem CID 155007002) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol
PubChem CID155007002
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(CCN)n1
InChIInChI=1S/C10H16N2O/c1-10(2,13)9-5-3-4-8(12-9)6-7-11/h3-5,13H,6-7,11H2,1-2H3
InChIKeyJPEXVBITMDQATR-UHFFFAOYSA-N
XLogP0.81
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol (CID 155007002) is 2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(CCN)n1.
What is the InChIKey of 2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol?
The InChIKey is JPEXVBITMDQATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,13)9-5-3-4-8(12-9)6-7-11/h3-5,13H,6-7,11H2,1-2H3.
What are the key properties of 2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol?
2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155007002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).