(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one

C12H18N2O — CID 58458155

IUPAC(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
SMILESCC(C)(C)C(=O)[C@H](N)Cc1ccccn1
InChIInChI=1S/C12H18N2O/c1-12(2,3)11(15)10(13)8-9-6-4-5-7-14-9/h4-7,10H,8,13H2,1-3H3/t10-/m1/s1
InChIKeyPYIZAVYJXDWBCQ-SNVBAGLBSA-N
MW206.29 g/mol
LogP1.57
Rot. Bonds3

About (2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one

(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one (PubChem CID 58458155) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
PubChem CID58458155
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
SMILESCC(C)(C)C(=O)[C@H](N)Cc1ccccn1
InChIInChI=1S/C12H18N2O/c1-12(2,3)11(15)10(13)8-9-6-4-5-7-14-9/h4-7,10H,8,13H2,1-3H3/t10-/m1/s1
InChIKeyPYIZAVYJXDWBCQ-SNVBAGLBSA-N
XLogP1.57
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
(2R)-2-amino-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 73439082
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
CID 135132625
2-amino-N',N'-dimethyl-3-pyridin-2-ylpropanehydrazide;hydrochloride
CID 67279388
2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide
CID 156652937
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 155459923
3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
2-amino-3-pyridin-2-ylpropanal
CID 22556784

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one?
The IUPAC name of (2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one (CID 58458155) is (2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one.
What is the SMILES notation for (2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one?
The canonical SMILES for (2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one is CC(C)(C)C(=O)[C@H](N)Cc1ccccn1.
What is the InChIKey of (2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one?
The InChIKey is PYIZAVYJXDWBCQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)11(15)10(13)8-9-6-4-5-7-14-9/h4-7,10H,8,13H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one?
(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one has a molecular weight of 206.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one is sourced from PubChem (CID 58458155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).