2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone

C11H16N2O — CID 118908276

IUPAC2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone
SMILESCC(C)(C)c1ccnc(C(=O)CN)c1
InChIInChI=1S/C11H16N2O/c1-11(2,3)8-4-5-13-9(6-8)10(14)7-12/h4-6H,7,12H2,1-3H3
InChIKeySZAYGWGOSWDMDW-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone

2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone (PubChem CID 118908276) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone
PubChem CID118908276
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone
SMILESCC(C)(C)c1ccnc(C(=O)CN)c1
InChIInChI=1S/C11H16N2O/c1-11(2,3)8-4-5-13-9(6-8)10(14)7-12/h4-6H,7,12H2,1-3H3
InChIKeySZAYGWGOSWDMDW-UHFFFAOYSA-N
XLogP1.52
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone?
The IUPAC name of 2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone (CID 118908276) is 2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone is CC(C)(C)c1ccnc(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone?
The InChIKey is SZAYGWGOSWDMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2,3)8-4-5-13-9(6-8)10(14)7-12/h4-6H,7,12H2,1-3H3.
What are the key properties of 2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone?
2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone has a molecular weight of 192.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone is sourced from PubChem (CID 118908276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).