N',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione

C9H17N3O2 — CID 67402745

IUPACN',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione
SMILESCN(C)CCCN.O=C1C=CC(=O)N1
InChIInChI=1S/C5H14N2.C4H3NO2/c1-7(2)5-3-4-6;6-3-1-2-4(7)5-3/h3-6H2,1-2H3;1-2H,(H,5,6,7)
InChIKeyKAGZFTWPZOUXLS-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.90
Rot. Bonds3

About N',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione

N',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione (PubChem CID 67402745) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione.

Molecular Properties

Compound NameN',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione
PubChem CID67402745
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione
SMILESCN(C)CCCN.O=C1C=CC(=O)N1
InChIInChI=1S/C5H14N2.C4H3NO2/c1-7(2)5-3-4-6;6-3-1-2-4(7)5-3/h3-6H2,1-2H3;1-2H,(H,5,6,7)
InChIKeyKAGZFTWPZOUXLS-UHFFFAOYSA-N
XLogP-0.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione?
The IUPAC name of N',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione (CID 67402745) is N',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione.
What is the SMILES notation for N',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione?
The canonical SMILES for N',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione is CN(C)CCCN.O=C1C=CC(=O)N1.
What is the InChIKey of N',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione?
The InChIKey is KAGZFTWPZOUXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.C4H3NO2/c1-7(2)5-3-4-6;6-3-1-2-4(7)5-3/h3-6H2,1-2H3;1-2H,(H,5,6,7).
What are the key properties of N',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione?
N',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione has a molecular weight of 199.25 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethylpropane-1,3-diamine;pyrrole-2,5-dione is sourced from PubChem (CID 67402745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).