1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C9H16N2O — CID 123718960

IUPAC1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCNC1CN(C(C)=O)CC=C1C
InChIInChI=1S/C9H16N2O/c1-7-4-5-11(8(2)12)6-9(7)10-3/h4,9-10H,5-6H2,1-3H3
InChIKeySPUXOPHGQXOAKE-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.38
Rot. Bonds1

About 1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 123718960) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID123718960
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCNC1CN(C(C)=O)CC=C1C
InChIInChI=1S/C9H16N2O/c1-7-4-5-11(8(2)12)6-9(7)10-3/h4,9-10H,5-6H2,1-3H3
InChIKeySPUXOPHGQXOAKE-UHFFFAOYSA-N
XLogP0.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 72154971
(E)-N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 133576086
4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride
CID 59110317
N-[(2S)-4-methylpent-3-en-2-yl]acetamide
CID 134965652
N-[(2R)-6,10-dimethylundeca-5,9-dien-2-yl]acetamide
CID 135075295
N-((1-(2-Cyclohexylideneethyl)-2-pyrrolidinyl)methyl)acetamide
CID 3024074
(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104930308
(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104930312
(2S)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104930315
(2S)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104930321
N-(2-aminoethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 113591607
2-(ethylamino)-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 113591620

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 123718960) is 1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CNC1CN(C(C)=O)CC=C1C.
What is the InChIKey of 1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is SPUXOPHGQXOAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-4-5-11(8(2)12)6-9(7)10-3/h4,9-10H,5-6H2,1-3H3.
What are the key properties of 1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 168.24 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 123718960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).