[hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium

C8H23N2O2P+2 — CID 2055275

IUPAC[hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium
SMILESCCC[NH2+]CP(=O)(O)C[NH2+]CCC
InChIInChI=1S/C8H21N2O2P/c1-3-5-9-7-13(11,12)8-10-6-4-2/h9-10H,3-8H2,1-2H3,(H,11,12)/p+2
InChIKeyLVSDZROQEUIMPO-UHFFFAOYSA-P
MW210.26 g/mol
LogP-0.88
Rot. Bonds8

About [hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium

[hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium (PubChem CID 2055275) has the molecular formula C8H23N2O2P+2 and a molecular weight of 210.26 g/mol. Its IUPAC name is [hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium.

Molecular Properties

Compound Name[hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium
PubChem CID2055275
Molecular FormulaC8H23N2O2P+2
Molecular Weight210.26 g/mol
Exact Mass210.15
IUPAC Name[hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium
SMILESCCC[NH2+]CP(=O)(O)C[NH2+]CCC
InChIInChI=1S/C8H21N2O2P/c1-3-5-9-7-13(11,12)8-10-6-4-2/h9-10H,3-8H2,1-2H3,(H,11,12)/p+2
InChIKeyLVSDZROQEUIMPO-UHFFFAOYSA-P
XLogP-0.88
TPSA70.52 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium?
The IUPAC name of [hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium (CID 2055275) is [hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium.
What is the SMILES notation for [hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium?
The canonical SMILES for [hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium is CCC[NH2+]CP(=O)(O)C[NH2+]CCC.
What is the InChIKey of [hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium?
The InChIKey is LVSDZROQEUIMPO-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H21N2O2P/c1-3-5-9-7-13(11,12)8-10-6-4-2/h9-10H,3-8H2,1-2H3,(H,11,12)/p+2.
What are the key properties of [hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium?
[hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium has a molecular weight of 210.26 g/mol, XLogP of -0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium is sourced from PubChem (CID 2055275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).