4-amino-1-pyridin-2-ylhexan-2-one

C11H16N2O — CID 116609167

IUPAC4-amino-1-pyridin-2-ylhexan-2-one
SMILESCCC(N)CC(=O)Cc1ccccn1
InChIInChI=1S/C11H16N2O/c1-2-9(12)7-11(14)8-10-5-3-4-6-13-10/h3-6,9H,2,7-8,12H2,1H3
InChIKeyGZMGELZTZBDOGU-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.32
Rot. Bonds5

About 4-amino-1-pyridin-2-ylhexan-2-one

4-amino-1-pyridin-2-ylhexan-2-one (PubChem CID 116609167) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-amino-1-pyridin-2-ylhexan-2-one.

Molecular Properties

Compound Name4-amino-1-pyridin-2-ylhexan-2-one
PubChem CID116609167
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-amino-1-pyridin-2-ylhexan-2-one
SMILESCCC(N)CC(=O)Cc1ccccn1
InChIInChI=1S/C11H16N2O/c1-2-9(12)7-11(14)8-10-5-3-4-6-13-10/h3-6,9H,2,7-8,12H2,1H3
InChIKeyGZMGELZTZBDOGU-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-pyridin-2-ylheptan-2-one
CID 62620777
4-methylidene-1-pyridin-2-ylhexan-2-one
CID 66045043
(2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid
CID 161352195
1-pyridin-2-yldecan-2-one
CID 62622628
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine
CID 11980320
3-amino-5-pyridin-2-ylpentanamide
CID 154265454
(2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine
CID 102044881
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-pyridin-2-ylhexan-2-one?
The IUPAC name of 4-amino-1-pyridin-2-ylhexan-2-one (CID 116609167) is 4-amino-1-pyridin-2-ylhexan-2-one.
What is the SMILES notation for 4-amino-1-pyridin-2-ylhexan-2-one?
The canonical SMILES for 4-amino-1-pyridin-2-ylhexan-2-one is CCC(N)CC(=O)Cc1ccccn1.
What is the InChIKey of 4-amino-1-pyridin-2-ylhexan-2-one?
The InChIKey is GZMGELZTZBDOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-9(12)7-11(14)8-10-5-3-4-6-13-10/h3-6,9H,2,7-8,12H2,1H3.
What are the key properties of 4-amino-1-pyridin-2-ylhexan-2-one?
4-amino-1-pyridin-2-ylhexan-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-pyridin-2-ylhexan-2-one is sourced from PubChem (CID 116609167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).