(2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol

C10H16N2O — CID 130720526

IUPAC(2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1cc(C)ccn1
InChIInChI=1S/C10H16N2O/c1-3-9(7-13)12-10-6-8(2)4-5-11-10/h4-6,9,13H,3,7H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyOVWGENSVSRGDBQ-VIFPVBQESA-N
MW180.25 g/mol
LogP1.57
Rot. Bonds4

About (2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol

(2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol (PubChem CID 130720526) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol
PubChem CID130720526
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1cc(C)ccn1
InChIInChI=1S/C10H16N2O/c1-3-9(7-13)12-10-6-8(2)4-5-11-10/h4-6,9,13H,3,7H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyOVWGENSVSRGDBQ-VIFPVBQESA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 94586923
2-(pyrazin-2-ylamino)butan-1-ol
CID 43388780
2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726838
(2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 133434731
4-fluoro-N-pentan-3-ylpyridin-2-amine
CID 131084309
2-[(5-amino-7-methylisoquinolin-1-yl)amino]butan-1-ol
CID 82570347
2-ethyl-N-(4-methyl-2-pyridinyl)butanamide
CID 849589
2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol
CID 60725889
1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea
CID 75484664
2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 83269513
N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine
CID 103269882
N-(4-chlorobutan-2-yl)-4-methylpyridin-2-amine
CID 83188560

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol (CID 130720526) is (2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol is CC[C@@H](CO)Nc1cc(C)ccn1.
What is the InChIKey of (2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol?
The InChIKey is OVWGENSVSRGDBQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-9(7-13)12-10-6-8(2)4-5-11-10/h4-6,9,13H,3,7H2,1-2H3,(H,11,12)/t9-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol?
(2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 130720526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).