2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane

C12H24N2O — CID 143657625

IUPAC2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane
SMILESCC.CC1=CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C10H18N2O.C2H6/c1-9-4-6-12(7-5-9)10(13)8-11(2)3;1-2/h4H,5-8H2,1-3H3;1-2H3
InChIKeyISCQULJWZIBCTM-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.75
Rot. Bonds2

About 2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane

2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane (PubChem CID 143657625) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane
PubChem CID143657625
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane
SMILESCC.CC1=CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C10H18N2O.C2H6/c1-9-4-6-12(7-5-9)10(13)8-11(2)3;1-2/h4H,5-8H2,1-3H3;1-2H3
InChIKeyISCQULJWZIBCTM-UHFFFAOYSA-N
XLogP1.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane?
The IUPAC name of 2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane (CID 143657625) is 2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane.
What is the SMILES notation for 2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane?
The canonical SMILES for 2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane is CC.CC1=CCN(C(=O)CN(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane?
The InChIKey is ISCQULJWZIBCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C2H6/c1-9-4-6-12(7-5-9)10(13)8-11(2)3;1-2/h4H,5-8H2,1-3H3;1-2H3.
What are the key properties of 2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane?
2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane has a molecular weight of 212.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane is sourced from PubChem (CID 143657625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).