methyl dihydrogen phosphate;2-methylpropan-2-amine

C5H16NO4P — CID 13319000

IUPACmethyl dihydrogen phosphate;2-methylpropan-2-amine
SMILESCC(C)(C)N.COP(=O)(O)O
InChIInChI=1S/C4H11N.CH5O4P/c1-4(2,3)5;1-5-6(2,3)4/h5H2,1-3H3;1H3,(H2,2,3,4)
InChIKeyLKMZNIXMSFYGJU-UHFFFAOYSA-N
MW185.16 g/mol
LogP0.47
Rot. Bonds1

About methyl dihydrogen phosphate;2-methylpropan-2-amine

methyl dihydrogen phosphate;2-methylpropan-2-amine (PubChem CID 13319000) has the molecular formula C5H16NO4P and a molecular weight of 185.16 g/mol. Its IUPAC name is methyl dihydrogen phosphate;2-methylpropan-2-amine.

Molecular Properties

Compound Namemethyl dihydrogen phosphate;2-methylpropan-2-amine
PubChem CID13319000
Molecular FormulaC5H16NO4P
Molecular Weight185.16 g/mol
Exact Mass185.08
IUPAC Namemethyl dihydrogen phosphate;2-methylpropan-2-amine
SMILESCC(C)(C)N.COP(=O)(O)O
InChIInChI=1S/C4H11N.CH5O4P/c1-4(2,3)5;1-5-6(2,3)4/h5H2,1-3H3;1H3,(H2,2,3,4)
InChIKeyLKMZNIXMSFYGJU-UHFFFAOYSA-N
XLogP0.47
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl dihydrogen phosphate;2-methylpropan-2-amine?
The IUPAC name of methyl dihydrogen phosphate;2-methylpropan-2-amine (CID 13319000) is methyl dihydrogen phosphate;2-methylpropan-2-amine.
What is the SMILES notation for methyl dihydrogen phosphate;2-methylpropan-2-amine?
The canonical SMILES for methyl dihydrogen phosphate;2-methylpropan-2-amine is CC(C)(C)N.COP(=O)(O)O.
What is the InChIKey of methyl dihydrogen phosphate;2-methylpropan-2-amine?
The InChIKey is LKMZNIXMSFYGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.CH5O4P/c1-4(2,3)5;1-5-6(2,3)4/h5H2,1-3H3;1H3,(H2,2,3,4).
What are the key properties of methyl dihydrogen phosphate;2-methylpropan-2-amine?
methyl dihydrogen phosphate;2-methylpropan-2-amine has a molecular weight of 185.16 g/mol, XLogP of 0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl dihydrogen phosphate;2-methylpropan-2-amine is sourced from PubChem (CID 13319000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).