1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one

C12H20N2O — CID 79885169

IUPAC1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(N)C(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)12(13)7-14-9(3)5-11(15)6-10(14)4/h5-6,8,12H,7,13H2,1-4H3
InChIKeyKVLXHJWVPXONNZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.45
Rot. Bonds3

About 1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one

1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one (PubChem CID 79885169) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one
PubChem CID79885169
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(N)C(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)12(13)7-14-9(3)5-11(15)6-10(14)4/h5-6,8,12H,7,13H2,1-4H3
InChIKeyKVLXHJWVPXONNZ-UHFFFAOYSA-N
XLogP1.45
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one
CID 59155341
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
4,4'-(Propane-1,2-diyldiazanediyl)di(pent-3-en-2-one)
CID 294448
1-Methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one
CID 59060199
5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one
CID 59060206
4-(2-(N,N-dimethylamino)ethylamino)-3-penten-2-one
CID 86643205
(Z)-4-[2-(dimethylamino)ethylamino]pent-3-en-2-one
CID 87438339
4-[2-[Methyl-[2-(4-oxopent-2-en-2-ylamino)ethyl]amino]ethylamino]pent-3-en-2-one
CID 88455435
2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one
CID 122628202
4-Piperazin-1-ylpent-3-en-2-one
CID 123812125
2-(1-amino-2-methylpropyl)-1H-pyridin-4-one
CID 130000243

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one (CID 79885169) is 1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1CC(N)C(C)C.
What is the InChIKey of 1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one?
The InChIKey is KVLXHJWVPXONNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)12(13)7-14-9(3)5-11(15)6-10(14)4/h5-6,8,12H,7,13H2,1-4H3.
What are the key properties of 1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one?
1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one has a molecular weight of 208.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylbutyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).