2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one

C13H20N2O2 — CID 116557169

IUPAC2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1cncc(OCC)c1
InChIInChI=1S/C13H20N2O2/c1-4-6-13(3,14)12(16)10-7-11(17-5-2)9-15-8-10/h7-9H,4-6,14H2,1-3H3
InChIKeyNEBYNOFEWSMBSX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.18
Rot. Bonds6

About 2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one

2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one (PubChem CID 116557169) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one
PubChem CID116557169
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1cncc(OCC)c1
InChIInChI=1S/C13H20N2O2/c1-4-6-13(3,14)12(16)10-7-11(17-5-2)9-15-8-10/h7-9H,4-6,14H2,1-3H3
InChIKeyNEBYNOFEWSMBSX-UHFFFAOYSA-N
XLogP2.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566547
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116566359
2-amino-2-methyl-1-pyridin-3-ylpentan-1-one
CID 116557032
1-(5-ethoxy-3-pyridinyl)heptan-1-one
CID 115793819
3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116612385
2-amino-2-methyl-1-quinolin-3-ylpentan-1-one
CID 116556948
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116555212
5-butoxypyridine-3-carboxylic acid
CID 63851154
[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116548333
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678
3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one
CID 116596399

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one (CID 116557169) is 2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one is CCCC(C)(N)C(=O)c1cncc(OCC)c1.
What is the InChIKey of 2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one?
The InChIKey is NEBYNOFEWSMBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-6-13(3,14)12(16)10-7-11(17-5-2)9-15-8-10/h7-9H,4-6,14H2,1-3H3.
What are the key properties of 2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one?
2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one is sourced from PubChem (CID 116557169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).