3-aminopentan-3-yloxidanium

C5H14NO+ — CID 159502028

IUPAC3-aminopentan-3-yloxidanium
SMILESCCC(N)([OH2+])CC
InChIInChI=1S/C5H13NO/c1-3-5(6,7)4-2/h7H,3-4,6H2,1-2H3/p+1
InChIKeyLZMXVSMNAQUODP-UHFFFAOYSA-O
MW104.17 g/mol
LogP0.19
Rot. Bonds2

About 3-aminopentan-3-yloxidanium

3-aminopentan-3-yloxidanium (PubChem CID 159502028) has the molecular formula C5H14NO+ and a molecular weight of 104.17 g/mol. Its IUPAC name is 3-aminopentan-3-yloxidanium.

Molecular Properties

Compound Name3-aminopentan-3-yloxidanium
PubChem CID159502028
Molecular FormulaC5H14NO+
Molecular Weight104.17 g/mol
Exact Mass104.11
IUPAC Name3-aminopentan-3-yloxidanium
SMILESCCC(N)([OH2+])CC
InChIInChI=1S/C5H13NO/c1-3-5(6,7)4-2/h7H,3-4,6H2,1-2H3/p+1
InChIKeyLZMXVSMNAQUODP-UHFFFAOYSA-O
XLogP0.19
TPSA48.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminopentan-3-yloxidanium?
The IUPAC name of 3-aminopentan-3-yloxidanium (CID 159502028) is 3-aminopentan-3-yloxidanium.
What is the SMILES notation for 3-aminopentan-3-yloxidanium?
The canonical SMILES for 3-aminopentan-3-yloxidanium is CCC(N)([OH2+])CC.
What is the InChIKey of 3-aminopentan-3-yloxidanium?
The InChIKey is LZMXVSMNAQUODP-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13NO/c1-3-5(6,7)4-2/h7H,3-4,6H2,1-2H3/p+1.
What are the key properties of 3-aminopentan-3-yloxidanium?
3-aminopentan-3-yloxidanium has a molecular weight of 104.17 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopentan-3-yloxidanium is sourced from PubChem (CID 159502028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).