1-aminopropyl(oxido)azanium

C3H10N2O — CID 22146437

IUPAC1-aminopropyl(oxido)azanium
SMILESCCC(N)[NH2+][O-]
InChIInChI=1S/C3H10N2O/c1-2-3(4)5-6/h3H,2,4-5H2,1H3
InChIKeyZROJGMJFIHGOLK-UHFFFAOYSA-N
MW90.13 g/mol
LogP-1.26
Rot. Bonds2

About 1-aminopropyl(oxido)azanium

1-aminopropyl(oxido)azanium (PubChem CID 22146437) has the molecular formula C3H10N2O and a molecular weight of 90.13 g/mol. Its IUPAC name is 1-aminopropyl(oxido)azanium.

Molecular Properties

Compound Name1-aminopropyl(oxido)azanium
PubChem CID22146437
Molecular FormulaC3H10N2O
Molecular Weight90.13 g/mol
Exact Mass90.08
IUPAC Name1-aminopropyl(oxido)azanium
SMILESCCC(N)[NH2+][O-]
InChIInChI=1S/C3H10N2O/c1-2-3(4)5-6/h3H,2,4-5H2,1H3
InChIKeyZROJGMJFIHGOLK-UHFFFAOYSA-N
XLogP-1.26
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.13
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropyl(oxido)azanium?
The IUPAC name of 1-aminopropyl(oxido)azanium (CID 22146437) is 1-aminopropyl(oxido)azanium.
What is the SMILES notation for 1-aminopropyl(oxido)azanium?
The canonical SMILES for 1-aminopropyl(oxido)azanium is CCC(N)[NH2+][O-].
What is the InChIKey of 1-aminopropyl(oxido)azanium?
The InChIKey is ZROJGMJFIHGOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O/c1-2-3(4)5-6/h3H,2,4-5H2,1H3.
What are the key properties of 1-aminopropyl(oxido)azanium?
1-aminopropyl(oxido)azanium has a molecular weight of 90.13 g/mol, XLogP of -1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropyl(oxido)azanium is sourced from PubChem (CID 22146437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).