(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol

C11H18N2O — CID 135132625

IUPAC(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
SMILESCC(C)(CO)[C@H](N)Cc1ccccn1
InChIInChI=1S/C11H18N2O/c1-11(2,8-14)10(12)7-9-5-3-4-6-13-9/h3-6,10,14H,7-8,12H2,1-2H3/t10-/m1/s1
InChIKeyNKHJLOYPUWJKPT-SNVBAGLBSA-N
MW194.28 g/mol
LogP0.97
Rot. Bonds4

About (3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol

(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol (PubChem CID 135132625) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
PubChem CID135132625
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
SMILESCC(C)(CO)[C@H](N)Cc1ccccn1
InChIInChI=1S/C11H18N2O/c1-11(2,8-14)10(12)7-9-5-3-4-6-13-9/h3-6,10,14H,7-8,12H2,1-2H3/t10-/m1/s1
InChIKeyNKHJLOYPUWJKPT-SNVBAGLBSA-N
XLogP0.97
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
CID 58458155
2-amino-3-pyridin-2-ylpropan-1-ol;hydrochloride
CID 75525879
3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
(3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol
CID 145217845
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
3-methyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068478
2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
4-amino-5-pyridin-2-ylpentan-1-ol
CID 175131878
4-methyl-1-pyridin-2-ylpentan-2-amine
CID 43118867
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol?
The IUPAC name of (3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol (CID 135132625) is (3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol?
The canonical SMILES for (3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol is CC(C)(CO)[C@H](N)Cc1ccccn1.
What is the InChIKey of (3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol?
The InChIKey is NKHJLOYPUWJKPT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,8-14)10(12)7-9-5-3-4-6-13-9/h3-6,10,14H,7-8,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol?
(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol is sourced from PubChem (CID 135132625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).