2-(pyridin-2-ylmethylamino)butan-1-ol

C10H16N2O — CID 4712765

IUPAC2-(pyridin-2-ylmethylamino)butan-1-ol
SMILESCCC(CO)NCc1ccccn1
InChIInChI=1S/C10H16N2O/c1-2-9(8-13)12-7-10-5-3-4-6-11-10/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeyFWMIVMPEGRQSPH-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.94
Rot. Bonds5

About 2-(pyridin-2-ylmethylamino)butan-1-ol

2-(pyridin-2-ylmethylamino)butan-1-ol (PubChem CID 4712765) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylamino)butan-1-ol
PubChem CID4712765
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(pyridin-2-ylmethylamino)butan-1-ol
SMILESCCC(CO)NCc1ccccn1
InChIInChI=1S/C10H16N2O/c1-2-9(8-13)12-7-10-5-3-4-6-11-10/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeyFWMIVMPEGRQSPH-UHFFFAOYSA-N
XLogP0.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethylamino)butan-1-ol?
The IUPAC name of 2-(pyridin-2-ylmethylamino)butan-1-ol (CID 4712765) is 2-(pyridin-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for 2-(pyridin-2-ylmethylamino)butan-1-ol?
The canonical SMILES for 2-(pyridin-2-ylmethylamino)butan-1-ol is CCC(CO)NCc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylmethylamino)butan-1-ol?
The InChIKey is FWMIVMPEGRQSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-9(8-13)12-7-10-5-3-4-6-11-10/h3-6,9,12-13H,2,7-8H2,1H3.
What are the key properties of 2-(pyridin-2-ylmethylamino)butan-1-ol?
2-(pyridin-2-ylmethylamino)butan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 4712765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).