4,6-diaminododeca-1,11-diene-3,10-dione

C12H20N2O2 — CID 57234388

IUPAC4,6-diaminododeca-1,11-diene-3,10-dione
SMILESC=CC(=O)CCCC(N)CC(N)C(=O)C=C
InChIInChI=1S/C12H20N2O2/c1-3-10(15)7-5-6-9(13)8-11(14)12(16)4-2/h3-4,9,11H,1-2,5-8,13-14H2
InChIKeyLUMJGEDFVCWYCF-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.71
Rot. Bonds9

About 4,6-diaminododeca-1,11-diene-3,10-dione

4,6-diaminododeca-1,11-diene-3,10-dione (PubChem CID 57234388) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4,6-diaminododeca-1,11-diene-3,10-dione.

Molecular Properties

Compound Name4,6-diaminododeca-1,11-diene-3,10-dione
PubChem CID57234388
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4,6-diaminododeca-1,11-diene-3,10-dione
SMILESC=CC(=O)CCCC(N)CC(N)C(=O)C=C
InChIInChI=1S/C12H20N2O2/c1-3-10(15)7-5-6-9(13)8-11(14)12(16)4-2/h3-4,9,11H,1-2,5-8,13-14H2
InChIKeyLUMJGEDFVCWYCF-UHFFFAOYSA-N
XLogP0.71
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-diaminododeca-1,11-diene-3,10-dione?
The IUPAC name of 4,6-diaminododeca-1,11-diene-3,10-dione (CID 57234388) is 4,6-diaminododeca-1,11-diene-3,10-dione.
What is the SMILES notation for 4,6-diaminododeca-1,11-diene-3,10-dione?
The canonical SMILES for 4,6-diaminododeca-1,11-diene-3,10-dione is C=CC(=O)CCCC(N)CC(N)C(=O)C=C.
What is the InChIKey of 4,6-diaminododeca-1,11-diene-3,10-dione?
The InChIKey is LUMJGEDFVCWYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-10(15)7-5-6-9(13)8-11(14)12(16)4-2/h3-4,9,11H,1-2,5-8,13-14H2.
What are the key properties of 4,6-diaminododeca-1,11-diene-3,10-dione?
4,6-diaminododeca-1,11-diene-3,10-dione has a molecular weight of 224.30 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diaminododeca-1,11-diene-3,10-dione is sourced from PubChem (CID 57234388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).