(3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol

C10H16N2O — CID 135132634

IUPAC(3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol
SMILESC[C@@](N)(CCO)Cc1ccccn1
InChIInChI=1S/C10H16N2O/c1-10(11,5-7-13)8-9-4-2-3-6-12-9/h2-4,6,13H,5,7-8,11H2,1H3/t10-/m1/s1
InChIKeyFRGOSSMBWGKHIL-SNVBAGLBSA-N
MW180.25 g/mol
LogP0.72
Rot. Bonds4

About (3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol

(3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol (PubChem CID 135132634) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol
PubChem CID135132634
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol
SMILESC[C@@](N)(CCO)Cc1ccccn1
InChIInChI=1S/C10H16N2O/c1-10(11,5-7-13)8-9-4-2-3-6-12-9/h2-4,6,13H,5,7-8,11H2,1H3/t10-/m1/s1
InChIKeyFRGOSSMBWGKHIL-SNVBAGLBSA-N
XLogP0.72
TPSA59.14 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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-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

2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride
CID 23111151
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol
CID 106146853
ethane;pyridin-2-ylmethanol
CID 91461493
2-amino-2-methyl-N-phenyl-3-pyridin-2-ylpropanamide
CID 68993510
(2S)-2-amino-2-(dimethylamino)-3-pyridin-2-ylpropanamide
CID 67278744
2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid
CID 79426104
(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
CID 135132625
2-(5-fluoro-2-pyridinyl)-1-pyridin-2-ylpropan-2-amine
CID 83126041
1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea
CID 151527742
ethane;pyridin-2-ylmethanamine
CID 90791011

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol?
The IUPAC name of (3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol (CID 135132634) is (3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol?
The canonical SMILES for (3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol is C[C@@](N)(CCO)Cc1ccccn1.
What is the InChIKey of (3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol?
The InChIKey is FRGOSSMBWGKHIL-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(11,5-7-13)8-9-4-2-3-6-12-9/h2-4,6,13H,5,7-8,11H2,1H3/t10-/m1/s1.
What are the key properties of (3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol?
(3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol is sourced from PubChem (CID 135132634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).