3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one

C12H18N2O — CID 130560649

IUPAC3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one
SMILESCc1cc(C(=O)C(C)(C)CN)cnc1C
InChIInChI=1S/C12H18N2O/c1-8-5-10(6-14-9(8)2)11(15)12(3,4)7-13/h5-6H,7,13H2,1-4H3
InChIKeyAUYKXJDEMKGSCP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.87
Rot. Bonds3

About 3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one

3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one (PubChem CID 130560649) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one
PubChem CID130560649
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one
SMILESCc1cc(C(=O)C(C)(C)CN)cnc1C
InChIInChI=1S/C12H18N2O/c1-8-5-10(6-14-9(8)2)11(15)12(3,4)7-13/h5-6H,7,13H2,1-4H3
InChIKeyAUYKXJDEMKGSCP-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,5,6-tetramethylpyridine-3-carboxamide
CID 178150926
3-(5,6-dimethyl-3-pyridinyl)-3-oxopropanenitrile
CID 130438969
1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one
CID 130560318
1-(5,6-dimethyl-3-pyridinyl)-4-(6-methoxy-5-methyl-3-pyridinyl)butane-1,4-dione
CID 90363435
N-methoxy-N,5,6-trimethylpyridine-3-carboxamide
CID 130211578
(5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane
CID 144572444
2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one
CID 116610906
N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide
CID 171134567
ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162
tert-butyl 6-amino-5-methylpyridine-3-carboxylate
CID 135394582
6-methyl-5-methylsulfonylpyridine-3-carboxylic acid
CID 163300955
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one (CID 130560649) is 3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one is Cc1cc(C(=O)C(C)(C)CN)cnc1C.
What is the InChIKey of 3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one?
The InChIKey is AUYKXJDEMKGSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-5-10(6-14-9(8)2)11(15)12(3,4)7-13/h5-6H,7,13H2,1-4H3.
What are the key properties of 3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one?
3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one has a molecular weight of 206.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5,6-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 130560649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).