3-aminopropyl-ethyl-dihydroxyazanium

C5H15N2O2+ — CID 22712849

IUPAC3-aminopropyl-ethyl-dihydroxyazanium
SMILESCC[N+](O)(O)CCCN
InChIInChI=1S/C5H15N2O2/c1-2-7(8,9)5-3-4-6/h8-9H,2-6H2,1H3/q+1
InChIKeyRYAGGGWDJKECHC-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.05
Rot. Bonds4

About 3-aminopropyl-ethyl-dihydroxyazanium

3-aminopropyl-ethyl-dihydroxyazanium (PubChem CID 22712849) has the molecular formula C5H15N2O2+ and a molecular weight of 135.19 g/mol. Its IUPAC name is 3-aminopropyl-ethyl-dihydroxyazanium.

Molecular Properties

Compound Name3-aminopropyl-ethyl-dihydroxyazanium
PubChem CID22712849
Molecular FormulaC5H15N2O2+
Molecular Weight135.19 g/mol
Exact Mass135.11
IUPAC Name3-aminopropyl-ethyl-dihydroxyazanium
SMILESCC[N+](O)(O)CCCN
InChIInChI=1S/C5H15N2O2/c1-2-7(8,9)5-3-4-6/h8-9H,2-6H2,1H3/q+1
InChIKeyRYAGGGWDJKECHC-UHFFFAOYSA-N
XLogP-0.05
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl-ethyl-dihydroxyazanium?
The IUPAC name of 3-aminopropyl-ethyl-dihydroxyazanium (CID 22712849) is 3-aminopropyl-ethyl-dihydroxyazanium.
What is the SMILES notation for 3-aminopropyl-ethyl-dihydroxyazanium?
The canonical SMILES for 3-aminopropyl-ethyl-dihydroxyazanium is CC[N+](O)(O)CCCN.
What is the InChIKey of 3-aminopropyl-ethyl-dihydroxyazanium?
The InChIKey is RYAGGGWDJKECHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N2O2/c1-2-7(8,9)5-3-4-6/h8-9H,2-6H2,1H3/q+1.
What are the key properties of 3-aminopropyl-ethyl-dihydroxyazanium?
3-aminopropyl-ethyl-dihydroxyazanium has a molecular weight of 135.19 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-ethyl-dihydroxyazanium is sourced from PubChem (CID 22712849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).