dihydroxy(oxo)phosphanium;N-methylpropan-2-amine

C4H13NO3P+ — CID 22161000

IUPACdihydroxy(oxo)phosphanium;N-methylpropan-2-amine
SMILESCNC(C)C.O=[P+](O)O
InChIInChI=1S/C4H11N.HO3P/c1-4(2)5-3;1-4(2)3/h4-5H,1-3H3;(H-,1,2,3)/p+1
InChIKeyWRBICHXLGKFBQC-UHFFFAOYSA-O
MW154.13 g/mol
LogP0.24
Rot. Bonds1

About dihydroxy(oxo)phosphanium;N-methylpropan-2-amine

dihydroxy(oxo)phosphanium;N-methylpropan-2-amine (PubChem CID 22161000) has the molecular formula C4H13NO3P+ and a molecular weight of 154.13 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;N-methylpropan-2-amine.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;N-methylpropan-2-amine
PubChem CID22161000
Molecular FormulaC4H13NO3P+
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Namedihydroxy(oxo)phosphanium;N-methylpropan-2-amine
SMILESCNC(C)C.O=[P+](O)O
InChIInChI=1S/C4H11N.HO3P/c1-4(2)5-3;1-4(2)3/h4-5H,1-3H3;(H-,1,2,3)/p+1
InChIKeyWRBICHXLGKFBQC-UHFFFAOYSA-O
XLogP0.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(Isopropylamino)-1-phosphono-ethyl]phosphonic acid
CID 19689020
Phosphoric acid--butan-2-amine (1/1)
CID 147283
(3-(Methylamino)propyl)phosphonic acid
CID 12557429
[(Butan-2-ylamino)-phosphonomethyl]phosphonic acid
CID 11265121
Phosphonic acid, [(butylamino)methyl]-
CID 4491465
(Propan-2-ylamino)methylphosphonic acid
CID 13144267
Propylaminomethylphosphonic acid
CID 13171108
[N-(Phosphonomethyl)ethylammonio]methylphosphonate
CID 139071585
Phosphomethyl-di(propan-2-yl)azanium;dihydrate
CID 168341391
1-(Propan-2-ylamino)ethylphosphonic acid
CID 12596024
Methyl(propylaminomethyl)phosphinic acid
CID 13171111
2-(Methylamino)propylphosphonic acid
CID 12557413

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;N-methylpropan-2-amine?
The IUPAC name of dihydroxy(oxo)phosphanium;N-methylpropan-2-amine (CID 22161000) is dihydroxy(oxo)phosphanium;N-methylpropan-2-amine.
What is the SMILES notation for dihydroxy(oxo)phosphanium;N-methylpropan-2-amine?
The canonical SMILES for dihydroxy(oxo)phosphanium;N-methylpropan-2-amine is CNC(C)C.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;N-methylpropan-2-amine?
The InChIKey is WRBICHXLGKFBQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N.HO3P/c1-4(2)5-3;1-4(2)3/h4-5H,1-3H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;N-methylpropan-2-amine?
dihydroxy(oxo)phosphanium;N-methylpropan-2-amine has a molecular weight of 154.13 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;N-methylpropan-2-amine is sourced from PubChem (CID 22161000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).