acetaldehyde;N,1-dimethylpiperidin-4-amine;ethane

C11H26N2O — CID 177244037

IUPACacetaldehyde;N,1-dimethylpiperidin-4-amine;ethane
SMILESCC.CC=O.CNC1CCN(C)CC1
InChIInChI=1S/C7H16N2.C2H4O.C2H6/c1-8-7-3-5-9(2)6-4-7;1-2-3;1-2/h7-8H,3-6H2,1-2H3;2H,1H3;1-2H3
InChIKeyVWAITCMWEOQQLN-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.53
Rot. Bonds1

About acetaldehyde;N,1-dimethylpiperidin-4-amine;ethane

acetaldehyde;N,1-dimethylpiperidin-4-amine;ethane (PubChem CID 177244037) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is acetaldehyde;N,1-dimethylpiperidin-4-amine;ethane.

Molecular Properties

Compound Nameacetaldehyde;N,1-dimethylpiperidin-4-amine;ethane
PubChem CID177244037
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Nameacetaldehyde;N,1-dimethylpiperidin-4-amine;ethane
SMILESCC.CC=O.CNC1CCN(C)CC1
InChIInChI=1S/C7H16N2.C2H4O.C2H6/c1-8-7-3-5-9(2)6-4-7;1-2-3;1-2/h7-8H,3-6H2,1-2H3;2H,1H3;1-2H3
InChIKeyVWAITCMWEOQQLN-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N,1-dimethylpiperidin-4-amine;ethane?
The IUPAC name of acetaldehyde;N,1-dimethylpiperidin-4-amine;ethane (CID 177244037) is acetaldehyde;N,1-dimethylpiperidin-4-amine;ethane.
What is the SMILES notation for acetaldehyde;N,1-dimethylpiperidin-4-amine;ethane?
The canonical SMILES for acetaldehyde;N,1-dimethylpiperidin-4-amine;ethane is CC.CC=O.CNC1CCN(C)CC1.
What is the InChIKey of acetaldehyde;N,1-dimethylpiperidin-4-amine;ethane?
The InChIKey is VWAITCMWEOQQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H4O.C2H6/c1-8-7-3-5-9(2)6-4-7;1-2-3;1-2/h7-8H,3-6H2,1-2H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;N,1-dimethylpiperidin-4-amine;ethane?
acetaldehyde;N,1-dimethylpiperidin-4-amine;ethane has a molecular weight of 202.34 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N,1-dimethylpiperidin-4-amine;ethane is sourced from PubChem (CID 177244037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).