3-amino-1-pyridin-3-ylhexan-1-one

C11H16N2O — CID 116607864

IUPAC3-amino-1-pyridin-3-ylhexan-1-one
SMILESCCCC(N)CC(=O)c1cccnc1
InChIInChI=1S/C11H16N2O/c1-2-4-10(12)7-11(14)9-5-3-6-13-8-9/h3,5-6,8,10H,2,4,7,12H2,1H3
InChIKeyFZWMCARVGWTBNG-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.78
Rot. Bonds5

About 3-amino-1-pyridin-3-ylhexan-1-one

3-amino-1-pyridin-3-ylhexan-1-one (PubChem CID 116607864) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-amino-1-pyridin-3-ylhexan-1-one.

Molecular Properties

Compound Name3-amino-1-pyridin-3-ylhexan-1-one
PubChem CID116607864
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-amino-1-pyridin-3-ylhexan-1-one
SMILESCCCC(N)CC(=O)c1cccnc1
InChIInChI=1S/C11H16N2O/c1-2-4-10(12)7-11(14)9-5-3-6-13-8-9/h3,5-6,8,10H,2,4,7,12H2,1H3
InChIKeyFZWMCARVGWTBNG-UHFFFAOYSA-N
XLogP1.78
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate
CID 21058132
3-amino-1-(3-methoxyphenyl)hexan-1-one
CID 116607861
3-amino-1-(3-fluorophenyl)hexan-1-one
CID 116607934
1-pyridin-3-ylpentan-1-one
CID 12648543
3-amino-1-phenyloctadecan-1-one
CID 54040118
1-pyridin-3-ylundecan-1-one
CID 19756112
7,7-diamino-1-pyridin-3-ylheptan-1-one
CID 142992432
methyl 2-(pyridine-3-carbonylamino)pentanoate
CID 123866102
1-pyridin-3-ylhexan-3-amine
CID 64506028
2,2-diamino-1-pyridin-3-ylethanone
CID 174594045
diethyl 2-(pyridine-3-carbonyl)butanedioate
CID 45039205
1-pyridin-3-yloxypentan-2-amine
CID 117241763

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pyridin-3-ylhexan-1-one?
The IUPAC name of 3-amino-1-pyridin-3-ylhexan-1-one (CID 116607864) is 3-amino-1-pyridin-3-ylhexan-1-one.
What is the SMILES notation for 3-amino-1-pyridin-3-ylhexan-1-one?
The canonical SMILES for 3-amino-1-pyridin-3-ylhexan-1-one is CCCC(N)CC(=O)c1cccnc1.
What is the InChIKey of 3-amino-1-pyridin-3-ylhexan-1-one?
The InChIKey is FZWMCARVGWTBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-4-10(12)7-11(14)9-5-3-6-13-8-9/h3,5-6,8,10H,2,4,7,12H2,1H3.
What are the key properties of 3-amino-1-pyridin-3-ylhexan-1-one?
3-amino-1-pyridin-3-ylhexan-1-one has a molecular weight of 192.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pyridin-3-ylhexan-1-one is sourced from PubChem (CID 116607864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).