1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one

C13H22N2O — CID 80704082

IUPAC1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one
SMILESCCCCC(CN)n1c(C)cc(=O)cc1C
InChIInChI=1S/C13H22N2O/c1-4-5-6-12(9-14)15-10(2)7-13(16)8-11(15)3/h7-8,12H,4-6,9,14H2,1-3H3
InChIKeyFOQSXEOFCRYHBZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.16
Rot. Bonds5

About 1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one

1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one (PubChem CID 80704082) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one
PubChem CID80704082
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one
SMILESCCCCC(CN)n1c(C)cc(=O)cc1C
InChIInChI=1S/C13H22N2O/c1-4-5-6-12(9-14)15-10(2)7-13(16)8-11(15)3/h7-8,12H,4-6,9,14H2,1-3H3
InChIKeyFOQSXEOFCRYHBZ-UHFFFAOYSA-N
XLogP2.16
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-4-(cyclohexylamino)pent-3-en-2-one
CID 11063031
4-(Cyclohexylamino)-3-penten-2-one
CID 68500602
4,4'-(1,6-Hexanediyldiimino)bis(3-penten-2-one)
CID 3734901
(Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one
CID 59155341
(Z)-4-(pentylamino)pent-3-en-2-one
CID 130176447
copper (Z,4E)-4-[2-[(E)-[(Z)-3-hydroxy-1-methyl-but-2-enylidene]amino]propylimino]pent-2-en-2-ol
CID 5493743
(E)-4-[2-[[(E)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one
CID 5383292
(Z)-4-(hexylamino)pent-3-en-2-one
CID 100927882
4,4'-(Propane-1,2-diyldiazanediyl)di(pent-3-en-2-one)
CID 294448
(Z)-4-(octylamino)pent-3-en-2-one
CID 9942535
(E)-4-(cyclohexylamino)pent-3-en-2-one
CID 15668768
(E)-4-(octylamino)pent-3-en-2-one
CID 22141768

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one (CID 80704082) is 1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one is CCCCC(CN)n1c(C)cc(=O)cc1C.
What is the InChIKey of 1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one?
The InChIKey is FOQSXEOFCRYHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-5-6-12(9-14)15-10(2)7-13(16)8-11(15)3/h7-8,12H,4-6,9,14H2,1-3H3.
What are the key properties of 1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one?
1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one has a molecular weight of 222.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminohexan-2-yl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 80704082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).