1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium

C5H14N2P+ — CID 155015179

IUPAC1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium
SMILESCN1CCN[P+]1(C)C
InChIInChI=1S/C5H14N2P/c1-7-5-4-6-8(7,2)3/h6H,4-5H2,1-3H3/q+1
InChIKeyQWBBVAAUHQXKGB-UHFFFAOYSA-N
MW133.16 g/mol
LogP0.63
Rot. Bonds

About 1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium

1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium (PubChem CID 155015179) has the molecular formula C5H14N2P+ and a molecular weight of 133.16 g/mol. Its IUPAC name is 1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium.

Molecular Properties

Compound Name1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium
PubChem CID155015179
Molecular FormulaC5H14N2P+
Molecular Weight133.16 g/mol
Exact Mass133.09
IUPAC Name1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium
SMILESCN1CCN[P+]1(C)C
InChIInChI=1S/C5H14N2P/c1-7-5-4-6-8(7,2)3/h6H,4-5H2,1-3H3/q+1
InChIKeyQWBBVAAUHQXKGB-UHFFFAOYSA-N
XLogP0.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dimethyl-1,3,2-diazaphospholidine
CID 132137032
1,2,5-Trimethyl-1,3,2-diazaphospholidine
CID 132137041
3-Methyl-1,3-azaphospholidin-4-amine
CID 137512161
1-Methyl-1,3,2-diazaphospholidine
CID 141315249
2-Hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium
CID 173468772
1,2-Dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium
CID 101443598
1,3-Dimethyl-1,3,2-diazaphospholidin-1-ium
CID 101948098

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium?
The IUPAC name of 1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium (CID 155015179) is 1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium.
What is the SMILES notation for 1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium?
The canonical SMILES for 1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium is CN1CCN[P+]1(C)C.
What is the InChIKey of 1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium?
The InChIKey is QWBBVAAUHQXKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2P/c1-7-5-4-6-8(7,2)3/h6H,4-5H2,1-3H3/q+1.
What are the key properties of 1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium?
1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium has a molecular weight of 133.16 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-1,3,2-diazaphospholidin-2-ium is sourced from PubChem (CID 155015179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).