(2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol

C13H22N2O — CID 103906509

IUPAC(2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol
SMILESCC(C)CC(NC[C@H](C)O)c1ccccn1
InChIInChI=1S/C13H22N2O/c1-10(2)8-13(15-9-11(3)16)12-6-4-5-7-14-12/h4-7,10-11,13,15-16H,8-9H2,1-3H3/t11-,13?/m0/s1
InChIKeyCXPJHWRNIXFYDV-AMGKYWFPSA-N
MW222.33 g/mol
LogP2.14
Rot. Bonds6

About (2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol

(2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol (PubChem CID 103906509) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol
PubChem CID103906509
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol
SMILESCC(C)CC(NC[C@H](C)O)c1ccccn1
InChIInChI=1S/C13H22N2O/c1-10(2)8-13(15-9-11(3)16)12-6-4-5-7-14-12/h4-7,10-11,13,15-16H,8-9H2,1-3H3/t11-,13?/m0/s1
InChIKeyCXPJHWRNIXFYDV-AMGKYWFPSA-N
XLogP2.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-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

1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine
CID 75382516
1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366
(2S)-1-[(3-methyl-1-thiophen-2-ylbutyl)amino]propan-2-ol
CID 103906407
(1S)-3-methyl-1-pyridin-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 97229522
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
(1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine
CID 97230542
3-amino-1-pyridin-2-ylbutan-1-ol
CID 151032283
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
3-methyl-N-(1-pyridin-2-ylbutyl)butan-1-amine
CID 115872088
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol (CID 103906509) is (2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol is CC(C)CC(NC[C@H](C)O)c1ccccn1.
What is the InChIKey of (2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol?
The InChIKey is CXPJHWRNIXFYDV-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)8-13(15-9-11(3)16)12-6-4-5-7-14-12/h4-7,10-11,13,15-16H,8-9H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of (2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol?
(2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol is sourced from PubChem (CID 103906509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).