3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

C10H18N2O — CID 114409380

IUPAC3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCNCCC(=O)N1CC=C(C)CC1
InChIInChI=1S/C10H18N2O/c1-9-4-7-12(8-5-9)10(13)3-6-11-2/h4,11H,3,5-8H2,1-2H3
InChIKeyDVEXGJZPZMDFPB-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.77
Rot. Bonds3

About 3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 114409380) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID114409380
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCNCCC(=O)N1CC=C(C)CC1
InChIInChI=1S/C10H18N2O/c1-9-4-7-12(8-5-9)10(13)3-6-11-2/h4,11H,3,5-8H2,1-2H3
InChIKeyDVEXGJZPZMDFPB-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
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 3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 114409380) is 3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is CNCCC(=O)N1CC=C(C)CC1.
What is the InChIKey of 3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is DVEXGJZPZMDFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9-4-7-12(8-5-9)10(13)3-6-11-2/h4,11H,3,5-8H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 114409380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).