2-methylpropane-1,2-diamine;phosphoric acid

C4H15N2O4P — CID 89442571

IUPAC2-methylpropane-1,2-diamine;phosphoric acid
SMILESCC(C)(N)CN.O=P(O)(O)O
InChIInChI=1S/C4H12N2.H3O4P/c1-4(2,6)3-5;1-5(2,3)4/h3,5-6H2,1-2H3;(H3,1,2,3,4)
InChIKeyKXRGLZVBLYBHFK-UHFFFAOYSA-N
MW186.15 g/mol
LogP-1.25
Rot. Bonds1

About 2-methylpropane-1,2-diamine;phosphoric acid

2-methylpropane-1,2-diamine;phosphoric acid (PubChem CID 89442571) has the molecular formula C4H15N2O4P and a molecular weight of 186.15 g/mol. Its IUPAC name is 2-methylpropane-1,2-diamine;phosphoric acid.

Molecular Properties

Compound Name2-methylpropane-1,2-diamine;phosphoric acid
PubChem CID89442571
Molecular FormulaC4H15N2O4P
Molecular Weight186.15 g/mol
Exact Mass186.08
IUPAC Name2-methylpropane-1,2-diamine;phosphoric acid
SMILESCC(C)(N)CN.O=P(O)(O)O
InChIInChI=1S/C4H12N2.H3O4P/c1-4(2,6)3-5;1-5(2,3)4/h3,5-6H2,1-2H3;(H3,1,2,3,4)
InChIKeyKXRGLZVBLYBHFK-UHFFFAOYSA-N
XLogP-1.25
TPSA129.80 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 5-1.25
H-Bond Donors ≤ 55
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 2-methylpropane-1,2-diamine;phosphoric acid?
The IUPAC name of 2-methylpropane-1,2-diamine;phosphoric acid (CID 89442571) is 2-methylpropane-1,2-diamine;phosphoric acid.
What is the SMILES notation for 2-methylpropane-1,2-diamine;phosphoric acid?
The canonical SMILES for 2-methylpropane-1,2-diamine;phosphoric acid is CC(C)(N)CN.O=P(O)(O)O.
What is the InChIKey of 2-methylpropane-1,2-diamine;phosphoric acid?
The InChIKey is KXRGLZVBLYBHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.H3O4P/c1-4(2,6)3-5;1-5(2,3)4/h3,5-6H2,1-2H3;(H3,1,2,3,4).
What are the key properties of 2-methylpropane-1,2-diamine;phosphoric acid?
2-methylpropane-1,2-diamine;phosphoric acid has a molecular weight of 186.15 g/mol, XLogP of -1.25, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1,2-diamine;phosphoric acid is sourced from PubChem (CID 89442571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).