dihydroxy(oxo)phosphanium;3-methylbutan-1-amine

C5H15NO3P+ — CID 22056543

IUPACdihydroxy(oxo)phosphanium;3-methylbutan-1-amine
SMILESCC(C)CCN.O=[P+](O)O
InChIInChI=1S/C5H13N.HO3P/c1-5(2)3-4-6;1-4(2)3/h5H,3-4,6H2,1-2H3;(H-,1,2,3)/p+1
InChIKeyCIAMLIVQNSUXSQ-UHFFFAOYSA-O
MW168.15 g/mol
LogP0.62
Rot. Bonds2

About dihydroxy(oxo)phosphanium;3-methylbutan-1-amine

dihydroxy(oxo)phosphanium;3-methylbutan-1-amine (PubChem CID 22056543) has the molecular formula C5H15NO3P+ and a molecular weight of 168.15 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;3-methylbutan-1-amine.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;3-methylbutan-1-amine
PubChem CID22056543
Molecular FormulaC5H15NO3P+
Molecular Weight168.15 g/mol
Exact Mass168.08
IUPAC Namedihydroxy(oxo)phosphanium;3-methylbutan-1-amine
SMILESCC(C)CCN.O=[P+](O)O
InChIInChI=1S/C5H13N.HO3P/c1-5(2)3-4-6;1-4(2)3/h5H,3-4,6H2,1-2H3;(H-,1,2,3)/p+1
InChIKeyCIAMLIVQNSUXSQ-UHFFFAOYSA-O
XLogP0.62
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.62
H-Bond Donors ≤ 53
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 dihydroxy(oxo)phosphanium;3-methylbutan-1-amine?
The IUPAC name of dihydroxy(oxo)phosphanium;3-methylbutan-1-amine (CID 22056543) is dihydroxy(oxo)phosphanium;3-methylbutan-1-amine.
What is the SMILES notation for dihydroxy(oxo)phosphanium;3-methylbutan-1-amine?
The canonical SMILES for dihydroxy(oxo)phosphanium;3-methylbutan-1-amine is CC(C)CCN.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;3-methylbutan-1-amine?
The InChIKey is CIAMLIVQNSUXSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13N.HO3P/c1-5(2)3-4-6;1-4(2)3/h5H,3-4,6H2,1-2H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;3-methylbutan-1-amine?
dihydroxy(oxo)phosphanium;3-methylbutan-1-amine has a molecular weight of 168.15 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;3-methylbutan-1-amine is sourced from PubChem (CID 22056543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).