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

C12H20N2O — CID 79885482

IUPAC1-(1-aminopentan-2-yl)-2,6-dimethylpyridin-4-one
SMILESCCCC(CN)n1c(C)cc(=O)cc1C
InChIInChI=1S/C12H20N2O/c1-4-5-11(8-13)14-9(2)6-12(15)7-10(14)3/h6-7,11H,4-5,8,13H2,1-3H3
InChIKeyIWWNIGQEJNLUQT-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.77
Rot. Bonds4

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

1-(1-aminopentan-2-yl)-2,6-dimethylpyridin-4-one (PubChem CID 79885482) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(1-aminopentan-2-yl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(1-aminopentan-2-yl)-2,6-dimethylpyridin-4-one
PubChem CID79885482
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(1-aminopentan-2-yl)-2,6-dimethylpyridin-4-one
SMILESCCCC(CN)n1c(C)cc(=O)cc1C
InChIInChI=1S/C12H20N2O/c1-4-5-11(8-13)14-9(2)6-12(15)7-10(14)3/h6-7,11H,4-5,8,13H2,1-3H3
InChIKeyIWWNIGQEJNLUQT-UHFFFAOYSA-N
XLogP1.77
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.77
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
4-{[2-(Ethylamino)ethyl]amino}pent-3-EN-2-one
CID 71418387
(E)-4-[2-[[(E)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one
CID 5383292
(2E,5E)-2,6-bis(butylamino)hepta-2,5-dien-4-one
CID 6377814
(Z)-4-(hexylamino)pent-3-en-2-one
CID 100927882
4-(Pentan-3-ylamino)pent-3-en-2-one
CID 139069284
4,4'-(Propane-1,2-diyldiazanediyl)di(pent-3-en-2-one)
CID 294448

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopentan-2-yl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(1-aminopentan-2-yl)-2,6-dimethylpyridin-4-one (CID 79885482) is 1-(1-aminopentan-2-yl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(1-aminopentan-2-yl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(1-aminopentan-2-yl)-2,6-dimethylpyridin-4-one is CCCC(CN)n1c(C)cc(=O)cc1C.
What is the InChIKey of 1-(1-aminopentan-2-yl)-2,6-dimethylpyridin-4-one?
The InChIKey is IWWNIGQEJNLUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-5-11(8-13)14-9(2)6-12(15)7-10(14)3/h6-7,11H,4-5,8,13H2,1-3H3.
What are the key properties of 1-(1-aminopentan-2-yl)-2,6-dimethylpyridin-4-one?
1-(1-aminopentan-2-yl)-2,6-dimethylpyridin-4-one has a molecular weight of 208.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopentan-2-yl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).