7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one

C14H22N2O — CID 116549923

IUPAC7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one
SMILESCCc1ccc(CC(=O)CCCCCN)nc1
InChIInChI=1S/C14H22N2O/c1-2-12-7-8-13(16-11-12)10-14(17)6-4-3-5-9-15/h7-8,11H,2-6,9-10,15H2,1H3
InChIKeyUXTGFBZPJZENAI-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.27
Rot. Bonds8

About 7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one

7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one (PubChem CID 116549923) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one.

Molecular Properties

Compound Name7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one
PubChem CID116549923
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one
SMILESCCc1ccc(CC(=O)CCCCCN)nc1
InChIInChI=1S/C14H22N2O/c1-2-12-7-8-13(16-11-12)10-14(17)6-4-3-5-9-15/h7-8,11H,2-6,9-10,15H2,1H3
InChIKeyUXTGFBZPJZENAI-UHFFFAOYSA-N
XLogP2.27
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one
CID 79745887
5-amino-1-(5-ethyl-2-pyridinyl)hexan-2-one
CID 116571567
1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561045
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786128
1-(5-ethyl-2-pyridinyl)heptan-4-one
CID 79738865
1-(5-methyl-2-pyridinyl)nonan-2-one
CID 66447727
1-(5-bromo-2-pyridinyl)decan-2-one
CID 115800946
1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
CID 116554816
1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
CID 116562736
1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone
CID 116600244
1-(1-aminocyclopentyl)-3-(5-ethyl-2-pyridinyl)propan-2-one
CID 116578619
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one?
The IUPAC name of 7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one (CID 116549923) is 7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one.
What is the SMILES notation for 7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one?
The canonical SMILES for 7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one is CCc1ccc(CC(=O)CCCCCN)nc1.
What is the InChIKey of 7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one?
The InChIKey is UXTGFBZPJZENAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-12-7-8-13(16-11-12)10-14(17)6-4-3-5-9-15/h7-8,11H,2-6,9-10,15H2,1H3.
What are the key properties of 7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one?
7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one is sourced from PubChem (CID 116549923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).