2-amino-2-methyl-1-pyridin-3-ylpentan-1-one

C11H16N2O — CID 116557032

IUPAC2-amino-2-methyl-1-pyridin-3-ylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1cccnc1
InChIInChI=1S/C11H16N2O/c1-3-6-11(2,12)10(14)9-5-4-7-13-8-9/h4-5,7-8H,3,6,12H2,1-2H3
InChIKeySWKAKPDSWSVHMX-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.78
Rot. Bonds4

About 2-amino-2-methyl-1-pyridin-3-ylpentan-1-one

2-amino-2-methyl-1-pyridin-3-ylpentan-1-one (PubChem CID 116557032) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-2-methyl-1-pyridin-3-ylpentan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-pyridin-3-ylpentan-1-one
PubChem CID116557032
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-2-methyl-1-pyridin-3-ylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1cccnc1
InChIInChI=1S/C11H16N2O/c1-3-6-11(2,12)10(14)9-5-4-7-13-8-9/h4-5,7-8H,3,6,12H2,1-2H3
InChIKeySWKAKPDSWSVHMX-UHFFFAOYSA-N
XLogP1.78
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-amino-2-(pyridine-3-carbonyl)butanoate
CID 68762841
3-amino-3-methyl-1-pyridin-3-ylhexan-2-one
CID 116557063
2-amino-2-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 60848389
2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one
CID 116556928
2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one
CID 116557169
3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one
CID 174395736
N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262
nickel;pyridine-3-carboxylic acid
CID 174049937
iodoethane;pyridine-3-carboxylic acid
CID 158495952
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841
tert-butyl 3-oxo-3-pyridin-3-ylpropanoate
CID 22925074
[(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate
CID 169075412

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-pyridin-3-ylpentan-1-one?
The IUPAC name of 2-amino-2-methyl-1-pyridin-3-ylpentan-1-one (CID 116557032) is 2-amino-2-methyl-1-pyridin-3-ylpentan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-pyridin-3-ylpentan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-pyridin-3-ylpentan-1-one is CCCC(C)(N)C(=O)c1cccnc1.
What is the InChIKey of 2-amino-2-methyl-1-pyridin-3-ylpentan-1-one?
The InChIKey is SWKAKPDSWSVHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-6-11(2,12)10(14)9-5-4-7-13-8-9/h4-5,7-8H,3,6,12H2,1-2H3.
What are the key properties of 2-amino-2-methyl-1-pyridin-3-ylpentan-1-one?
2-amino-2-methyl-1-pyridin-3-ylpentan-1-one has a molecular weight of 192.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-pyridin-3-ylpentan-1-one is sourced from PubChem (CID 116557032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).