phosphorous acid;N-propan-2-ylpropan-2-amine

C6H18NO3P — CID 87196576

IUPACphosphorous acid;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.OP(O)O
InChIInChI=1S/C6H15N.H3O3P/c1-5(2)7-6(3)4;1-4(2)3/h5-7H,1-4H3;1-3H
InChIKeyCPAWWCYRFWIRPH-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.58
Rot. Bonds2

About phosphorous acid;N-propan-2-ylpropan-2-amine

phosphorous acid;N-propan-2-ylpropan-2-amine (PubChem CID 87196576) has the molecular formula C6H18NO3P and a molecular weight of 183.19 g/mol. Its IUPAC name is phosphorous acid;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Namephosphorous acid;N-propan-2-ylpropan-2-amine
PubChem CID87196576
Molecular FormulaC6H18NO3P
Molecular Weight183.19 g/mol
Exact Mass183.10
IUPAC Namephosphorous acid;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.OP(O)O
InChIInChI=1S/C6H15N.H3O3P/c1-5(2)7-6(3)4;1-4(2)3/h5-7H,1-4H3;1-3H
InChIKeyCPAWWCYRFWIRPH-UHFFFAOYSA-N
XLogP0.58
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphorous acid;N-propan-2-ylpropan-2-amine?
The IUPAC name of phosphorous acid;N-propan-2-ylpropan-2-amine (CID 87196576) is phosphorous acid;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for phosphorous acid;N-propan-2-ylpropan-2-amine?
The canonical SMILES for phosphorous acid;N-propan-2-ylpropan-2-amine is CC(C)NC(C)C.OP(O)O.
What is the InChIKey of phosphorous acid;N-propan-2-ylpropan-2-amine?
The InChIKey is CPAWWCYRFWIRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.H3O3P/c1-5(2)7-6(3)4;1-4(2)3/h5-7H,1-4H3;1-3H.
What are the key properties of phosphorous acid;N-propan-2-ylpropan-2-amine?
phosphorous acid;N-propan-2-ylpropan-2-amine has a molecular weight of 183.19 g/mol, XLogP of 0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphorous acid;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 87196576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).