1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one

C11H20N2O — CID 114408986

IUPAC1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-3-12-9-10(2)11(14)13-7-5-4-6-8-13/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyDGXZKCROJDXBSN-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.02
Rot. Bonds4

About 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one

1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one (PubChem CID 114408986) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one
PubChem CID114408986
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-3-12-9-10(2)11(14)13-7-5-4-6-8-13/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyDGXZKCROJDXBSN-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.02
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

1-(azocan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62852509
3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 106835868
3-(ethylamino)-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536739
1-(4-acetyl-1,4-diazepan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62839640
(2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 93494142
3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one
CID 102957635
1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
CID 103195276
1-(4-cyclopropylpiperazin-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62851691
1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one
CID 63167112
(2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
CID 104921204
(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-3-methylsulfanylpropan-1-one
CID 141045369
4-ethyl-1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylic acid
CID 55177384

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one (CID 114408986) is 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one is CCNCC(C)C(=O)N1CC=CCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one?
The InChIKey is DGXZKCROJDXBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-12-9-10(2)11(14)13-7-5-4-6-8-13/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one?
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one has a molecular weight of 196.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 114408986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).