ethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane

C20H32N2O2 — CID 143657600

IUPACethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane
SMILESCC.CCC.CNC.Cc1ccc(Oc2ccnc(C=O)c2)cc1
InChIInChI=1S/C13H11NO2.C3H8.C2H7N.C2H6/c1-10-2-4-12(5-3-10)16-13-6-7-14-11(8-13)9-15;2*1-3-2;1-2/h2-9H,1H3;3H2,1-2H3;3H,1-2H3;1-2H3
InChIKeySOARXXDOMLWJMR-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.27
Rot. Bonds3

About ethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane

ethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane (PubChem CID 143657600) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is ethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane.

Molecular Properties

Compound Nameethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane
PubChem CID143657600
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Nameethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane
SMILESCC.CCC.CNC.Cc1ccc(Oc2ccnc(C=O)c2)cc1
InChIInChI=1S/C13H11NO2.C3H8.C2H7N.C2H6/c1-10-2-4-12(5-3-10)16-13-6-7-14-11(8-13)9-15;2*1-3-2;1-2/h2-9H,1H3;3H2,1-2H3;3H,1-2H3;1-2H3
InChIKeySOARXXDOMLWJMR-UHFFFAOYSA-N
XLogP5.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane?
The IUPAC name of ethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane (CID 143657600) is ethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane.
What is the SMILES notation for ethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane?
The canonical SMILES for ethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane is CC.CCC.CNC.Cc1ccc(Oc2ccnc(C=O)c2)cc1.
What is the InChIKey of ethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane?
The InChIKey is SOARXXDOMLWJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2.C3H8.C2H7N.C2H6/c1-10-2-4-12(5-3-10)16-13-6-7-14-11(8-13)9-15;2*1-3-2;1-2/h2-9H,1H3;3H2,1-2H3;3H,1-2H3;1-2H3.
What are the key properties of ethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane?
ethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane has a molecular weight of 332.49 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylmethanamine;4-(4-methylphenoxy)pyridine-2-carbaldehyde;propane is sourced from PubChem (CID 143657600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).