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

C10H26N3O+3 — CID 156621401

IUPAC3-azaniumylpropyl-[4-(3-oxopropylazaniumyl)butyl]azanium
SMILES[NH3+]CCC[NH2+]CCCC[NH2+]CCC=O
InChIInChI=1S/C10H23N3O/c11-5-3-8-12-6-1-2-7-13-9-4-10-14/h10,12-13H,1-9,11H2/p+3
InChIKeyADZORAWYLNDBGZ-UHFFFAOYSA-Q
MW204.34 g/mol
LogP-2.89
Rot. Bonds11

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

3-azaniumylpropyl-[4-(3-oxopropylazaniumyl)butyl]azanium (PubChem CID 156621401) has the molecular formula C10H26N3O+3 and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-azaniumylpropyl-[4-(3-oxopropylazaniumyl)butyl]azanium.

Molecular Properties

Compound Name3-azaniumylpropyl-[4-(3-oxopropylazaniumyl)butyl]azanium
PubChem CID156621401
Molecular FormulaC10H26N3O+3
Molecular Weight204.34 g/mol
Exact Mass204.21
IUPAC Name3-azaniumylpropyl-[4-(3-oxopropylazaniumyl)butyl]azanium
SMILES[NH3+]CCC[NH2+]CCCC[NH2+]CCC=O
InChIInChI=1S/C10H23N3O/c11-5-3-8-12-6-1-2-7-13-9-4-10-14/h10,12-13H,1-9,11H2/p+3
InChIKeyADZORAWYLNDBGZ-UHFFFAOYSA-Q
XLogP-2.89
TPSA77.93 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 5-2.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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-azaniumylpropyl-[4-(3-oxopropylazaniumyl)butyl]azanium?
The IUPAC name of 3-azaniumylpropyl-[4-(3-oxopropylazaniumyl)butyl]azanium (CID 156621401) is 3-azaniumylpropyl-[4-(3-oxopropylazaniumyl)butyl]azanium.
What is the SMILES notation for 3-azaniumylpropyl-[4-(3-oxopropylazaniumyl)butyl]azanium?
The canonical SMILES for 3-azaniumylpropyl-[4-(3-oxopropylazaniumyl)butyl]azanium is [NH3+]CCC[NH2+]CCCC[NH2+]CCC=O.
What is the InChIKey of 3-azaniumylpropyl-[4-(3-oxopropylazaniumyl)butyl]azanium?
The InChIKey is ADZORAWYLNDBGZ-UHFFFAOYSA-Q. The full InChI is InChI=1S/C10H23N3O/c11-5-3-8-12-6-1-2-7-13-9-4-10-14/h10,12-13H,1-9,11H2/p+3.
What are the key properties of 3-azaniumylpropyl-[4-(3-oxopropylazaniumyl)butyl]azanium?
3-azaniumylpropyl-[4-(3-oxopropylazaniumyl)butyl]azanium has a molecular weight of 204.34 g/mol, XLogP of -2.89, 11 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaniumylpropyl-[4-(3-oxopropylazaniumyl)butyl]azanium is sourced from PubChem (CID 156621401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).