3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

C12H22N2O — CID 70672334

IUPAC3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCCC1=CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-4-11-5-9-14(10-6-11)12(15)7-8-13(2)3/h5H,4,6-10H2,1-3H3
InChIKeyXBBDBZIOBMNDKR-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.51
Rot. Bonds4

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

3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 70672334) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID70672334
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCCC1=CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-4-11-5-9-14(10-6-11)12(15)7-8-13(2)3/h5H,4,6-10H2,1-3H3
InChIKeyXBBDBZIOBMNDKR-UHFFFAOYSA-N
XLogP1.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.51
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 3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 70672334) is 3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is CCC1=CCN(C(=O)CCN(C)C)CC1.
What is the InChIKey of 3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is XBBDBZIOBMNDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-11-5-9-14(10-6-11)12(15)7-8-13(2)3/h5H,4,6-10H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 70672334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).