2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one

C10H14N2O — CID 83827929

IUPAC2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(C)N)cn1
InChIInChI=1S/C10H14N2O/c1-6-4-7(2)12-5-9(6)10(13)8(3)11/h4-5,8H,11H2,1-3H3
InChIKeyMPFMHXCUAANCCF-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.23
Rot. Bonds2

About 2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one

2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one (PubChem CID 83827929) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one
PubChem CID83827929
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(C)N)cn1
InChIInChI=1S/C10H14N2O/c1-6-4-7(2)12-5-9(6)10(13)8(3)11/h4-5,8H,11H2,1-3H3
InChIKeyMPFMHXCUAANCCF-UHFFFAOYSA-N
XLogP1.23
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one?
The IUPAC name of 2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one (CID 83827929) is 2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one is Cc1cc(C)c(C(=O)C(C)N)cn1.
What is the InChIKey of 2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one?
The InChIKey is MPFMHXCUAANCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6-4-7(2)12-5-9(6)10(13)8(3)11/h4-5,8H,11H2,1-3H3.
What are the key properties of 2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one?
2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one has a molecular weight of 178.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 83827929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).