1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one

C12H18N2O — CID 64503842

IUPAC1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)CCc1cccnc1N
InChIInChI=1S/C12H18N2O/c1-12(2,3)10(15)7-6-9-5-4-8-14-11(9)13/h4-5,8H,6-7H2,1-3H3,(H2,13,14)
InChIKeyCPMUFMZTRHXTJK-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.21
Rot. Bonds3

About 1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one

1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one (PubChem CID 64503842) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one
PubChem CID64503842
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)CCc1cccnc1N
InChIInChI=1S/C12H18N2O/c1-12(2,3)10(15)7-6-9-5-4-8-14-11(9)13/h4-5,8H,6-7H2,1-3H3,(H2,13,14)
InChIKeyCPMUFMZTRHXTJK-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxyethyl)phenyl]-4,4-dimethylpentan-3-one
CID 161299930
1-(2-amino-3-pyridinyl)-3-ethoxy-3-methylpentan-2-one
CID 116746879
1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
CID 79056779
ethane;3-propylpyridin-2-amine
CID 176926436
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635
3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane
CID 162183420
2-(2-amino-3-pyridinyl)acetohydrazide;hydrochloride
CID 130616634
S-[(2-amino-3-pyridinyl)methyl] ethanethioate
CID 71341899
3-(2-ethylsulfonylethyl)pyridin-2-amine
CID 106731715
(2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid
CID 169024941
3-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 163672199
2-(2-amino-3-pyridinyl)-N-methylacetamide;hydrochloride
CID 130695658

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one?
The IUPAC name of 1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one (CID 64503842) is 1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one is CC(C)(C)C(=O)CCc1cccnc1N.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one?
The InChIKey is CPMUFMZTRHXTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)10(15)7-6-9-5-4-8-14-11(9)13/h4-5,8H,6-7H2,1-3H3,(H2,13,14).
What are the key properties of 1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one?
1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one has a molecular weight of 206.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 64503842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).