2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one

C11H17N3O — CID 116556928

IUPAC2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1cnccc1N
InChIInChI=1S/C11H17N3O/c1-3-5-11(2,13)10(15)8-7-14-6-4-9(8)12/h4,6-7H,3,5,13H2,1-2H3,(H2,12,14)
InChIKeyAUIHXXPTAOCFRU-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.36
Rot. Bonds4

About 2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one

2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one (PubChem CID 116556928) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one
PubChem CID116556928
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1cnccc1N
InChIInChI=1S/C11H17N3O/c1-3-5-11(2,13)10(15)8-7-14-6-4-9(8)12/h4,6-7H,3,5,13H2,1-2H3,(H2,12,14)
InChIKeyAUIHXXPTAOCFRU-UHFFFAOYSA-N
XLogP1.36
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 116592894
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-2-methylbutan-1-one
CID 116610776
2-amino-2-methyl-1-pyridin-3-ylpentan-1-one
CID 116557032
1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one
CID 79063685
1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one
CID 116747229
1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one
CID 79051639
1-(4-amino-3-pyridinyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 79068133
2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one
CID 116556904
4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103464710
2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one
CID 102839336
1-(4-amino-3-pyridinyl)-3-ethylpent-2-en-1-one
CID 103458733
3-amino-3-methyl-1-pyridin-3-ylhexan-2-one
CID 116557063

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one (CID 116556928) is 2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one is CCCC(C)(N)C(=O)c1cnccc1N.
What is the InChIKey of 2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one?
The InChIKey is AUIHXXPTAOCFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-5-11(2,13)10(15)8-7-14-6-4-9(8)12/h4,6-7H,3,5,13H2,1-2H3,(H2,12,14).
What are the key properties of 2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one?
2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one is sourced from PubChem (CID 116556928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).