[di(propan-2-yl)amino]-oxidophosphanium

C6H16NOP — CID 100915332

IUPAC[di(propan-2-yl)amino]-oxidophosphanium
SMILESCC(C)N([PH2+][O-])C(C)C
InChIInChI=1S/C6H16NOP/c1-5(2)7(9-8)6(3)4/h5-6H,9H2,1-4H3
InChIKeyHACWNOZNARDHGV-UHFFFAOYSA-N
MW149.17 g/mol
LogP0.71
Rot. Bonds3

About [di(propan-2-yl)amino]-oxidophosphanium

[di(propan-2-yl)amino]-oxidophosphanium (PubChem CID 100915332) has the molecular formula C6H16NOP and a molecular weight of 149.17 g/mol. Its IUPAC name is [di(propan-2-yl)amino]-oxidophosphanium.

Molecular Properties

Compound Name[di(propan-2-yl)amino]-oxidophosphanium
PubChem CID100915332
Molecular FormulaC6H16NOP
Molecular Weight149.17 g/mol
Exact Mass149.10
IUPAC Name[di(propan-2-yl)amino]-oxidophosphanium
SMILESCC(C)N([PH2+][O-])C(C)C
InChIInChI=1S/C6H16NOP/c1-5(2)7(9-8)6(3)4/h5-6H,9H2,1-4H3
InChIKeyHACWNOZNARDHGV-UHFFFAOYSA-N
XLogP0.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [di(propan-2-yl)amino]-oxidophosphanium?
The IUPAC name of [di(propan-2-yl)amino]-oxidophosphanium (CID 100915332) is [di(propan-2-yl)amino]-oxidophosphanium.
What is the SMILES notation for [di(propan-2-yl)amino]-oxidophosphanium?
The canonical SMILES for [di(propan-2-yl)amino]-oxidophosphanium is CC(C)N([PH2+][O-])C(C)C.
What is the InChIKey of [di(propan-2-yl)amino]-oxidophosphanium?
The InChIKey is HACWNOZNARDHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NOP/c1-5(2)7(9-8)6(3)4/h5-6H,9H2,1-4H3.
What are the key properties of [di(propan-2-yl)amino]-oxidophosphanium?
[di(propan-2-yl)amino]-oxidophosphanium has a molecular weight of 149.17 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yl)amino]-oxidophosphanium is sourced from PubChem (CID 100915332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).