1,3-dimethyl-N-phosphanylimidazolidin-2-imine

C5H12N3P — CID 166858707

IUPAC1,3-dimethyl-N-phosphanylimidazolidin-2-imine
SMILESCN1CCN(C)C1=NP
InChIInChI=1S/C5H12N3P/c1-7-3-4-8(2)5(7)6-9/h3-4,9H2,1-2H3
InChIKeyDPVMDKAYWJDDPG-UHFFFAOYSA-N
MW145.15 g/mol
LogP0.01
Rot. Bonds

About 1,3-dimethyl-N-phosphanylimidazolidin-2-imine

1,3-dimethyl-N-phosphanylimidazolidin-2-imine (PubChem CID 166858707) has the molecular formula C5H12N3P and a molecular weight of 145.15 g/mol. Its IUPAC name is 1,3-dimethyl-N-phosphanylimidazolidin-2-imine.

Molecular Properties

Compound Name1,3-dimethyl-N-phosphanylimidazolidin-2-imine
PubChem CID166858707
Molecular FormulaC5H12N3P
Molecular Weight145.15 g/mol
Exact Mass145.08
IUPAC Name1,3-dimethyl-N-phosphanylimidazolidin-2-imine
SMILESCN1CCN(C)C1=NP
InChIInChI=1S/C5H12N3P/c1-7-3-4-8(2)5(7)6-9/h3-4,9H2,1-2H3
InChIKeyDPVMDKAYWJDDPG-UHFFFAOYSA-N
XLogP0.01
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-phosphanylimidazolidin-2-imine?
The IUPAC name of 1,3-dimethyl-N-phosphanylimidazolidin-2-imine (CID 166858707) is 1,3-dimethyl-N-phosphanylimidazolidin-2-imine.
What is the SMILES notation for 1,3-dimethyl-N-phosphanylimidazolidin-2-imine?
The canonical SMILES for 1,3-dimethyl-N-phosphanylimidazolidin-2-imine is CN1CCN(C)C1=NP.
What is the InChIKey of 1,3-dimethyl-N-phosphanylimidazolidin-2-imine?
The InChIKey is DPVMDKAYWJDDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N3P/c1-7-3-4-8(2)5(7)6-9/h3-4,9H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-phosphanylimidazolidin-2-imine?
1,3-dimethyl-N-phosphanylimidazolidin-2-imine has a molecular weight of 145.15 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-phosphanylimidazolidin-2-imine is sourced from PubChem (CID 166858707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).