(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol

C10H16N2O — CID 103773833

IUPAC(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
SMILESCc1ccc(CN[C@@H](C)CO)nc1
InChIInChI=1S/C10H16N2O/c1-8-3-4-10(12-5-8)6-11-9(2)7-13/h3-5,9,11,13H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyJIELBAFNOXIOBZ-VIFPVBQESA-N
MW180.25 g/mol
LogP0.86
Rot. Bonds4

About (2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol

(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol (PubChem CID 103773833) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
PubChem CID103773833
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
SMILESCc1ccc(CN[C@@H](C)CO)nc1
InChIInChI=1S/C10H16N2O/c1-8-3-4-10(12-5-8)6-11-9(2)7-13/h3-5,9,11,13H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyJIELBAFNOXIOBZ-VIFPVBQESA-N
XLogP0.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol?
The IUPAC name of (2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol (CID 103773833) is (2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol is Cc1ccc(CN[C@@H](C)CO)nc1.
What is the InChIKey of (2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol?
The InChIKey is JIELBAFNOXIOBZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-3-4-10(12-5-8)6-11-9(2)7-13/h3-5,9,11,13H,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol?
(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol is sourced from PubChem (CID 103773833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).