aminomethyl-dihydroxy-methylphosphanium

C2H9NO2P+ — CID 6395030

IUPACaminomethyl-dihydroxy-methylphosphanium
SMILESC[P+](O)(O)CN
InChIInChI=1S/C2H9NO2P/c1-6(4,5)2-3/h4-5H,2-3H2,1H3/q+1
InChIKeyCOZFRLUIUYHVTJ-UHFFFAOYSA-N
MW110.07 g/mol
LogP-0.64
Rot. Bonds1

About aminomethyl-dihydroxy-methylphosphanium

aminomethyl-dihydroxy-methylphosphanium (PubChem CID 6395030) has the molecular formula C2H9NO2P+ and a molecular weight of 110.07 g/mol. Its IUPAC name is aminomethyl-dihydroxy-methylphosphanium.

Molecular Properties

Compound Nameaminomethyl-dihydroxy-methylphosphanium
PubChem CID6395030
Molecular FormulaC2H9NO2P+
Molecular Weight110.07 g/mol
Exact Mass110.04
IUPAC Nameaminomethyl-dihydroxy-methylphosphanium
SMILESC[P+](O)(O)CN
InChIInChI=1S/C2H9NO2P/c1-6(4,5)2-3/h4-5H,2-3H2,1H3/q+1
InChIKeyCOZFRLUIUYHVTJ-UHFFFAOYSA-N
XLogP-0.64
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.07
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate
CID 6395069
potassium;1-aminopropan-2-ol;hydroxide
CID 175114009
2-aminoethanol;bis(1-aminopropan-2-ol)
CID 88781577
4-amino-3-methylbutan-2-ol;methane
CID 158476628
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
(3S)-2,3-dimethylbutane-1,4-diamine
CID 87997033
aminomethyl(trimethyl)phosphanium;carbanide
CID 159656059
2-methylpropan-1-amine;dihydrobromide
CID 172812560
(2S)-propane-1,2-diamine
CID 642322
5-aminopent-3-en-2-ol
CID 90709459
(2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol
CID 22861300
(3R)-3-(aminomethyl)pentan-2-ol
CID 141325021

Frequently Asked Questions

What is the IUPAC name of aminomethyl-dihydroxy-methylphosphanium?
The IUPAC name of aminomethyl-dihydroxy-methylphosphanium (CID 6395030) is aminomethyl-dihydroxy-methylphosphanium.
What is the SMILES notation for aminomethyl-dihydroxy-methylphosphanium?
The canonical SMILES for aminomethyl-dihydroxy-methylphosphanium is C[P+](O)(O)CN.
What is the InChIKey of aminomethyl-dihydroxy-methylphosphanium?
The InChIKey is COZFRLUIUYHVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9NO2P/c1-6(4,5)2-3/h4-5H,2-3H2,1H3/q+1.
What are the key properties of aminomethyl-dihydroxy-methylphosphanium?
aminomethyl-dihydroxy-methylphosphanium has a molecular weight of 110.07 g/mol, XLogP of -0.64, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl-dihydroxy-methylphosphanium is sourced from PubChem (CID 6395030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).