acetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine

C11H24N2O — CID 145081329

IUPACacetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine
SMILESCC=O.CCN1CCC(CNC)CC1
InChIInChI=1S/C9H20N2.C2H4O/c1-3-11-6-4-9(5-7-11)8-10-2;1-2-3/h9-10H,3-8H2,1-2H3;2H,1H3
InChIKeyBULVHGKCNQITOF-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.14
Rot. Bonds3

About acetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine

acetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine (PubChem CID 145081329) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is acetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Nameacetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine
PubChem CID145081329
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Nameacetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine
SMILESCC=O.CCN1CCC(CNC)CC1
InChIInChI=1S/C9H20N2.C2H4O/c1-3-11-6-4-9(5-7-11)8-10-2;1-2-3/h9-10H,3-8H2,1-2H3;2H,1H3
InChIKeyBULVHGKCNQITOF-UHFFFAOYSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.14
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;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine?
The IUPAC name of acetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine (CID 145081329) is acetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine.
What is the SMILES notation for acetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine?
The canonical SMILES for acetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine is CC=O.CCN1CCC(CNC)CC1.
What is the InChIKey of acetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine?
The InChIKey is BULVHGKCNQITOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C2H4O/c1-3-11-6-4-9(5-7-11)8-10-2;1-2-3/h9-10H,3-8H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine?
acetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine has a molecular weight of 200.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-(1-ethylpiperidin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 145081329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).