propane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde)

C27H30N6O4 — CID 173106777

IUPACpropane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde)
SMILESCC(N)CN.O=Cc1ccccn1.O=Cc1ccccn1.O=Cc1ccccn1.O=Cc1ccccn1
InChIInChI=1S/4C6H5NO.C3H10N2/c4*8-5-6-3-1-2-4-7-6;1-3(5)2-4/h4*1-5H;3H,2,4-5H2,1H3
InChIKeyVUEBBBPZNLTIAZ-UHFFFAOYSA-N
MW502.58 g/mol
LogP2.87
Rot. Bonds5

About propane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde)

propane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde) (PubChem CID 173106777) has the molecular formula C27H30N6O4 and a molecular weight of 502.58 g/mol. Its IUPAC name is propane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde).

Molecular Properties

Compound Namepropane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde)
PubChem CID173106777
Molecular FormulaC27H30N6O4
Molecular Weight502.58 g/mol
Exact Mass502.23
IUPAC Namepropane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde)
SMILESCC(N)CN.O=Cc1ccccn1.O=Cc1ccccn1.O=Cc1ccccn1.O=Cc1ccccn1
InChIInChI=1S/4C6H5NO.C3H10N2/c4*8-5-6-3-1-2-4-7-6;1-3(5)2-4/h4*1-5H;3H,2,4-5H2,1H3
InChIKeyVUEBBBPZNLTIAZ-UHFFFAOYSA-N
XLogP2.87
TPSA171.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde)?
The IUPAC name of propane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde) (CID 173106777) is propane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde).
What is the SMILES notation for propane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde)?
The canonical SMILES for propane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde) is CC(N)CN.O=Cc1ccccn1.O=Cc1ccccn1.O=Cc1ccccn1.O=Cc1ccccn1.
What is the InChIKey of propane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde)?
The InChIKey is VUEBBBPZNLTIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H5NO.C3H10N2/c4*8-5-6-3-1-2-4-7-6;1-3(5)2-4/h4*1-5H;3H,2,4-5H2,1H3.
What are the key properties of propane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde)?
propane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde) has a molecular weight of 502.58 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diamine;tetrakis(pyridine-2-carbaldehyde) is sourced from PubChem (CID 173106777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).