3-(diethylamino)-3-hydroxypropanal;λ2-plumbane

C7H17NO2Pb — CID 173370689

IUPAC3-(diethylamino)-3-hydroxypropanal;λ2-plumbane
SMILESCCN(CC)C(O)CC=O.[PbH2]
InChIInChI=1S/C7H15NO2.Pb.2H/c1-3-8(4-2)7(10)5-6-9;;;/h6-7,10H,3-5H2,1-2H3;;;
InChIKeyNIAMPMQETFFVHT-UHFFFAOYSA-N
MW354.42 g/mol
LogP-0.68
Rot. Bonds5

About 3-(diethylamino)-3-hydroxypropanal;λ2-plumbane

3-(diethylamino)-3-hydroxypropanal;λ2-plumbane (PubChem CID 173370689) has the molecular formula C7H17NO2Pb and a molecular weight of 354.42 g/mol. Its IUPAC name is 3-(diethylamino)-3-hydroxypropanal;λ2-plumbane.

Molecular Properties

Compound Name3-(diethylamino)-3-hydroxypropanal;λ2-plumbane
PubChem CID173370689
Molecular FormulaC7H17NO2Pb
Molecular Weight354.42 g/mol
Exact Mass355.10
IUPAC Name3-(diethylamino)-3-hydroxypropanal;λ2-plumbane
SMILESCCN(CC)C(O)CC=O.[PbH2]
InChIInChI=1S/C7H15NO2.Pb.2H/c1-3-8(4-2)7(10)5-6-9;;;/h6-7,10H,3-5H2,1-2H3;;;
InChIKeyNIAMPMQETFFVHT-UHFFFAOYSA-N
XLogP-0.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-hydroxypropanal;λ2-plumbane?
The IUPAC name of 3-(diethylamino)-3-hydroxypropanal;λ2-plumbane (CID 173370689) is 3-(diethylamino)-3-hydroxypropanal;λ2-plumbane.
What is the SMILES notation for 3-(diethylamino)-3-hydroxypropanal;λ2-plumbane?
The canonical SMILES for 3-(diethylamino)-3-hydroxypropanal;λ2-plumbane is CCN(CC)C(O)CC=O.[PbH2].
What is the InChIKey of 3-(diethylamino)-3-hydroxypropanal;λ2-plumbane?
The InChIKey is NIAMPMQETFFVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.Pb.2H/c1-3-8(4-2)7(10)5-6-9;;;/h6-7,10H,3-5H2,1-2H3;;;.
What are the key properties of 3-(diethylamino)-3-hydroxypropanal;λ2-plumbane?
3-(diethylamino)-3-hydroxypropanal;λ2-plumbane has a molecular weight of 354.42 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-hydroxypropanal;λ2-plumbane is sourced from PubChem (CID 173370689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).