acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one

C12H26N2O2 — CID 169185862

IUPACacetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one
SMILESCC.CC=O.CNCCN1CCCCC1=O
InChIInChI=1S/C8H16N2O.C2H4O.C2H6/c1-9-5-7-10-6-3-2-4-8(10)11;1-2-3;1-2/h9H,2-7H2,1H3;2H,1H3;1-2H3
InChIKeyJRLCLQJCZSKBKO-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.45
Rot. Bonds3

About acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one

acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one (PubChem CID 169185862) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one.

Molecular Properties

Compound Nameacetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one
PubChem CID169185862
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nameacetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one
SMILESCC.CC=O.CNCCN1CCCCC1=O
InChIInChI=1S/C8H16N2O.C2H4O.C2H6/c1-9-5-7-10-6-3-2-4-8(10)11;1-2-3;1-2/h9H,2-7H2,1H3;2H,1H3;1-2H3
InChIKeyJRLCLQJCZSKBKO-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(ethylamino)ethyl]piperidin-2-one
CID 61387338
1-[2-(ethylamino)ethyl]azocan-2-one
CID 61386984
1-[2-(tert-butylamino)ethyl]azepan-2-one
CID 61387620
1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one
CID 19837416
4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one
CID 130524511
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
1-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]pyrrolidin-2-one
CID 144760396
3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate
CID 70824820
1-[3-(propan-2-ylamino)propyl]azepan-2-one
CID 60695423
1-but-3-enylpiperidin-2-one
CID 14225189
4-oxo-4-[2-(2-oxoazepan-1-yl)ethylamino]but-2-enoic acid
CID 157315369
1-(3,3-dimethylbutyl)azepan-2-one
CID 15031641

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one?
The IUPAC name of acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one (CID 169185862) is acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one.
What is the SMILES notation for acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one?
The canonical SMILES for acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one is CC.CC=O.CNCCN1CCCCC1=O.
What is the InChIKey of acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one?
The InChIKey is JRLCLQJCZSKBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2H4O.C2H6/c1-9-5-7-10-6-3-2-4-8(10)11;1-2-3;1-2/h9H,2-7H2,1H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one?
acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one has a molecular weight of 230.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one is sourced from PubChem (CID 169185862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).