2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one

C12H16N2O — CID 116558385

IUPAC2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)(N)C2CC2)cn1
InChIInChI=1S/C12H16N2O/c1-8-3-4-9(7-14-8)11(15)12(2,13)10-5-6-10/h3-4,7,10H,5-6,13H2,1-2H3
InChIKeyYZHKSXLVENZLFA-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.70
Rot. Bonds3

About 2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one

2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one (PubChem CID 116558385) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one
PubChem CID116558385
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)(N)C2CC2)cn1
InChIInChI=1S/C12H16N2O/c1-8-3-4-9(7-14-8)11(15)12(2,13)10-5-6-10/h3-4,7,10H,5-6,13H2,1-2H3
InChIKeyYZHKSXLVENZLFA-UHFFFAOYSA-N
XLogP1.70
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one (CID 116558385) is 2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one is Cc1ccc(C(=O)C(C)(N)C2CC2)cn1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one?
The InChIKey is YZHKSXLVENZLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-3-4-9(7-14-8)11(15)12(2,13)10-5-6-10/h3-4,7,10H,5-6,13H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one?
2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one has a molecular weight of 204.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 116558385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).