6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione

C16H24N4O2 — CID 3248794

IUPAC6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione
SMILESCCN(CCCCCCN)c1ccc2c(=O)[nH][nH]c(=O)c2c1
InChIInChI=1S/C16H24N4O2/c1-2-20(10-6-4-3-5-9-17)12-7-8-13-14(11-12)16(22)19-18-15(13)21/h7-8,11H,2-6,9-10,17H2,1H3,(H,18,21)(H,19,22)
InChIKeyBEADQYOTAORBKI-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.56
Rot. Bonds8

About 6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione

6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione (PubChem CID 3248794) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione
PubChem CID3248794
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione
SMILESCCN(CCCCCCN)c1ccc2c(=O)[nH][nH]c(=O)c2c1
InChIInChI=1S/C16H24N4O2/c1-2-20(10-6-4-3-5-9-17)12-7-8-13-14(11-12)16(22)19-18-15(13)21/h7-8,11H,2-6,9-10,17H2,1H3,(H,18,21)(H,19,22)
InChIKeyBEADQYOTAORBKI-UHFFFAOYSA-N
XLogP1.56
TPSA94.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione (CID 3248794) is 6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione is CCN(CCCCCCN)c1ccc2c(=O)[nH][nH]c(=O)c2c1.
What is the InChIKey of 6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is BEADQYOTAORBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-20(10-6-4-3-5-9-17)12-7-8-13-14(11-12)16(22)19-18-15(13)21/h7-8,11H,2-6,9-10,17H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione?
6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 304.39 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-aminohexyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 3248794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).