(2R)-2-(pyridin-4-ylmethylamino)butan-1-ol

C10H16N2O — CID 961331

IUPAC(2R)-2-(pyridin-4-ylmethylamino)butan-1-ol
SMILESCC[C@H](CO)NCc1ccncc1
InChIInChI=1S/C10H16N2O/c1-2-10(8-13)12-7-9-3-5-11-6-4-9/h3-6,10,12-13H,2,7-8H2,1H3/t10-/m1/s1
InChIKeyMNDDVQNBQVPGAG-SNVBAGLBSA-N
MW180.25 g/mol
LogP0.94
Rot. Bonds5

About (2R)-2-(pyridin-4-ylmethylamino)butan-1-ol

(2R)-2-(pyridin-4-ylmethylamino)butan-1-ol (PubChem CID 961331) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (2R)-2-(pyridin-4-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(pyridin-4-ylmethylamino)butan-1-ol
PubChem CID961331
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(2R)-2-(pyridin-4-ylmethylamino)butan-1-ol
SMILESCC[C@H](CO)NCc1ccncc1
InChIInChI=1S/C10H16N2O/c1-2-10(8-13)12-7-9-3-5-11-6-4-9/h3-6,10,12-13H,2,7-8H2,1H3/t10-/m1/s1
InChIKeyMNDDVQNBQVPGAG-SNVBAGLBSA-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 (2R)-2-(pyridin-4-ylmethylamino)butan-1-ol?
The IUPAC name of (2R)-2-(pyridin-4-ylmethylamino)butan-1-ol (CID 961331) is (2R)-2-(pyridin-4-ylmethylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(pyridin-4-ylmethylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(pyridin-4-ylmethylamino)butan-1-ol is CC[C@H](CO)NCc1ccncc1.
What is the InChIKey of (2R)-2-(pyridin-4-ylmethylamino)butan-1-ol?
The InChIKey is MNDDVQNBQVPGAG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-10(8-13)12-7-9-3-5-11-6-4-9/h3-6,10,12-13H,2,7-8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(pyridin-4-ylmethylamino)butan-1-ol?
(2R)-2-(pyridin-4-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 (2R)-2-(pyridin-4-ylmethylamino)butan-1-ol is sourced from PubChem (CID 961331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).