3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium

C10H22N2O2+2 — CID 156621391

IUPAC3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium
SMILESO=CCC[NH2+]CCCC[NH2+]CCC=O
InChIInChI=1S/C10H20N2O2/c13-9-3-7-11-5-1-2-6-12-8-4-10-14/h9-12H,1-8H2/p+2
InChIKeyWPBJCXUUUSDQJO-UHFFFAOYSA-P
MW202.30 g/mol
LogP-1.93
Rot. Bonds11

About 3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium

3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium (PubChem CID 156621391) has the molecular formula C10H22N2O2+2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium.

Molecular Properties

Compound Name3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium
PubChem CID156621391
Molecular FormulaC10H22N2O2+2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium
SMILESO=CCC[NH2+]CCCC[NH2+]CCC=O
InChIInChI=1S/C10H20N2O2/c13-9-3-7-11-5-1-2-6-12-8-4-10-14/h9-12H,1-8H2/p+2
InChIKeyWPBJCXUUUSDQJO-UHFFFAOYSA-P
XLogP-1.93
TPSA67.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium?
The IUPAC name of 3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium (CID 156621391) is 3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium.
What is the SMILES notation for 3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium?
The canonical SMILES for 3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium is O=CCC[NH2+]CCCC[NH2+]CCC=O.
What is the InChIKey of 3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium?
The InChIKey is WPBJCXUUUSDQJO-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H20N2O2/c13-9-3-7-11-5-1-2-6-12-8-4-10-14/h9-12H,1-8H2/p+2.
What are the key properties of 3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium?
3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium has a molecular weight of 202.30 g/mol, XLogP of -1.93, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxopropyl-[4-(3-oxopropylazaniumyl)butyl]azanium is sourced from PubChem (CID 156621391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).