2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol

C12H20N2O — CID 103911941

IUPAC2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ccncc1
InChIInChI=1S/C12H20N2O/c1-11(2,12(3,4)15)14-9-10-5-7-13-8-6-10/h5-8,14-15H,9H2,1-4H3
InChIKeyOIBHTKGPSXLMHS-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.72
Rot. Bonds4

About 2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol

2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol (PubChem CID 103911941) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol
PubChem CID103911941
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ccncc1
InChIInChI=1S/C12H20N2O/c1-11(2,12(3,4)15)14-9-10-5-7-13-8-6-10/h5-8,14-15H,9H2,1-4H3
InChIKeyOIBHTKGPSXLMHS-UHFFFAOYSA-N
XLogP1.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 104709064
3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 103911833
2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol
CID 103529754
2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
CID 104881406
2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
CID 159685342
2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid
CID 104643853
1-tert-butyl-3-(pyridin-4-ylmethyl)thiourea
CID 3537256
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 60849701
2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid
CID 79628858
2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid
CID 66172431

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol (CID 103911941) is 2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol is CC(C)(O)C(C)(C)NCc1ccncc1.
What is the InChIKey of 2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol?
The InChIKey is OIBHTKGPSXLMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(2,12(3,4)15)14-9-10-5-7-13-8-6-10/h5-8,14-15H,9H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol?
2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol is sourced from PubChem (CID 103911941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).