3-aminopropyl-(2-methylpropyl)-oxophosphanium

C7H17NOP+ — CID 154398183

IUPAC3-aminopropyl-(2-methylpropyl)-oxophosphanium
SMILESCC(C)C[P+](=O)CCCN
InChIInChI=1S/C7H17NOP/c1-7(2)6-10(9)5-3-4-8/h7H,3-6,8H2,1-2H3/q+1
InChIKeyLGNRJIRSVRTAOD-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.82
Rot. Bonds5

About 3-aminopropyl-(2-methylpropyl)-oxophosphanium

3-aminopropyl-(2-methylpropyl)-oxophosphanium (PubChem CID 154398183) has the molecular formula C7H17NOP+ and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-aminopropyl-(2-methylpropyl)-oxophosphanium.

Molecular Properties

Compound Name3-aminopropyl-(2-methylpropyl)-oxophosphanium
PubChem CID154398183
Molecular FormulaC7H17NOP+
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name3-aminopropyl-(2-methylpropyl)-oxophosphanium
SMILESCC(C)C[P+](=O)CCCN
InChIInChI=1S/C7H17NOP/c1-7(2)6-10(9)5-3-4-8/h7H,3-6,8H2,1-2H3/q+1
InChIKeyLGNRJIRSVRTAOD-UHFFFAOYSA-N
XLogP1.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl-(2-methylpropyl)-oxophosphanium?
The IUPAC name of 3-aminopropyl-(2-methylpropyl)-oxophosphanium (CID 154398183) is 3-aminopropyl-(2-methylpropyl)-oxophosphanium.
What is the SMILES notation for 3-aminopropyl-(2-methylpropyl)-oxophosphanium?
The canonical SMILES for 3-aminopropyl-(2-methylpropyl)-oxophosphanium is CC(C)C[P+](=O)CCCN.
What is the InChIKey of 3-aminopropyl-(2-methylpropyl)-oxophosphanium?
The InChIKey is LGNRJIRSVRTAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOP/c1-7(2)6-10(9)5-3-4-8/h7H,3-6,8H2,1-2H3/q+1.
What are the key properties of 3-aminopropyl-(2-methylpropyl)-oxophosphanium?
3-aminopropyl-(2-methylpropyl)-oxophosphanium has a molecular weight of 162.19 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-(2-methylpropyl)-oxophosphanium is sourced from PubChem (CID 154398183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).