propylaminoazanium

C3H11N2+ — CID 24849129

IUPACpropylaminoazanium
SMILESCCCN[NH3+]
InChIInChI=1S/C3H10N2/c1-2-3-5-4/h5H,2-4H2,1H3/p+1
InChIKeyUKPBXIFLSVLDPA-UHFFFAOYSA-O
MW75.14 g/mol
LogP-0.86
Rot. Bonds2

About propylaminoazanium

propylaminoazanium (PubChem CID 24849129) has the molecular formula C3H11N2+ and a molecular weight of 75.14 g/mol. Its IUPAC name is propylaminoazanium.

Molecular Properties

Compound Namepropylaminoazanium
PubChem CID24849129
Molecular FormulaC3H11N2+
Molecular Weight75.14 g/mol
Exact Mass75.09
IUPAC Namepropylaminoazanium
SMILESCCCN[NH3+]
InChIInChI=1S/C3H10N2/c1-2-3-5-4/h5H,2-4H2,1H3/p+1
InChIKeyUKPBXIFLSVLDPA-UHFFFAOYSA-O
XLogP-0.86
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.14
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propylaminoazanium?
The IUPAC name of propylaminoazanium (CID 24849129) is propylaminoazanium.
What is the SMILES notation for propylaminoazanium?
The canonical SMILES for propylaminoazanium is CCCN[NH3+].
What is the InChIKey of propylaminoazanium?
The InChIKey is UKPBXIFLSVLDPA-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H10N2/c1-2-3-5-4/h5H,2-4H2,1H3/p+1.
What are the key properties of propylaminoazanium?
propylaminoazanium has a molecular weight of 75.14 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propylaminoazanium is sourced from PubChem (CID 24849129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).