3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one

C13H20N2O2 — CID 116596399

IUPAC3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one
SMILESCCOc1cncc(C(=O)CC(CC)CN)c1
InChIInChI=1S/C13H20N2O2/c1-3-10(7-14)5-13(16)11-6-12(17-4-2)9-15-8-11/h6,8-10H,3-5,7,14H2,1-2H3
InChIKeyUCOIFCJLLWNWOR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.04
Rot. Bonds7

About 3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one

3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one (PubChem CID 116596399) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one
PubChem CID116596399
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one
SMILESCCOc1cncc(C(=O)CC(CC)CN)c1
InChIInChI=1S/C13H20N2O2/c1-3-10(7-14)5-13(16)11-6-12(17-4-2)9-15-8-11/h6,8-10H,3-5,7,14H2,1-2H3
InChIKeyUCOIFCJLLWNWOR-UHFFFAOYSA-N
XLogP2.04
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one
CID 116576849
3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116612385
1-(5-ethoxy-3-pyridinyl)heptan-1-one
CID 115793819
3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one
CID 116609044
3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one
CID 105125350
[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116548333
3-(aminomethyl)-1-(3,5-dimethylphenyl)pentan-1-one
CID 116596132
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116555212
3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one
CID 114523846
3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one
CID 116555889
1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one
CID 115793668
[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one (CID 116596399) is 3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one is CCOc1cncc(C(=O)CC(CC)CN)c1.
What is the InChIKey of 3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one?
The InChIKey is UCOIFCJLLWNWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-10(7-14)5-13(16)11-6-12(17-4-2)9-15-8-11/h6,8-10H,3-5,7,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one?
3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one is sourced from PubChem (CID 116596399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).