2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione

C27H32N4O2 — CID 25053001

IUPAC2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione
SMILESNCCCNCCCNCCCNC1=CC(=O)c2cc3cc4ccccc4cc3cc2C1=O
InChIInChI=1S/C27H32N4O2/c28-8-3-9-29-10-4-11-30-12-5-13-31-25-18-26(32)23-16-21-14-19-6-1-2-7-20(19)15-22(21)17-24(23)27(25)33/h1-2,6-7,14-18,29-31H,3-5,8-13,28H2
InChIKeyHWHLEZQXGXMBOI-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.15
Rot. Bonds12

About 2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione

2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione (PubChem CID 25053001) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione.

Molecular Properties

Compound Name2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione
PubChem CID25053001
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione
SMILESNCCCNCCCNCCCNC1=CC(=O)c2cc3cc4ccccc4cc3cc2C1=O
InChIInChI=1S/C27H32N4O2/c28-8-3-9-29-10-4-11-30-12-5-13-31-25-18-26(32)23-16-21-14-19-6-1-2-7-20(19)15-22(21)17-24(23)27(25)33/h1-2,6-7,14-18,29-31H,3-5,8-13,28H2
InChIKeyHWHLEZQXGXMBOI-UHFFFAOYSA-N
XLogP3.15
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione?
The IUPAC name of 2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione (CID 25053001) is 2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione.
What is the SMILES notation for 2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione?
The canonical SMILES for 2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione is NCCCNCCCNCCCNC1=CC(=O)c2cc3cc4ccccc4cc3cc2C1=O.
What is the InChIKey of 2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione?
The InChIKey is HWHLEZQXGXMBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c28-8-3-9-29-10-4-11-30-12-5-13-31-25-18-26(32)23-16-21-14-19-6-1-2-7-20(19)15-22(21)17-24(23)27(25)33/h1-2,6-7,14-18,29-31H,3-5,8-13,28H2.
What are the key properties of 2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione?
2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione has a molecular weight of 444.58 g/mol, XLogP of 3.15, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione is sourced from PubChem (CID 25053001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).