1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine

C8H16N3P — CID 175039586

IUPAC1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine
SMILES[H]/N=C1/C(N2CCCC2)CCN1P
InChIInChI=1S/C8H16N3P/c9-8-7(3-6-11(8)12)10-4-1-2-5-10/h7,9H,1-6,12H2/b9-8-
InChIKeyDTFRKRQXOGUIHN-HJWRWDBZSA-N
MW185.21 g/mol
LogP0.92
Rot. Bonds1

About 1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine

1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine (PubChem CID 175039586) has the molecular formula C8H16N3P and a molecular weight of 185.21 g/mol. Its IUPAC name is 1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine.

Molecular Properties

Compound Name1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine
PubChem CID175039586
Molecular FormulaC8H16N3P
Molecular Weight185.21 g/mol
Exact Mass185.11
IUPAC Name1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine
SMILES[H]/N=C1/C(N2CCCC2)CCN1P
InChIInChI=1S/C8H16N3P/c9-8-7(3-6-11(8)12)10-4-1-2-5-10/h7,9H,1-6,12H2/b9-8-
InChIKeyDTFRKRQXOGUIHN-HJWRWDBZSA-N
XLogP0.92
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine?
The IUPAC name of 1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine (CID 175039586) is 1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine.
What is the SMILES notation for 1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine?
The canonical SMILES for 1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine is [H]/N=C1/C(N2CCCC2)CCN1P.
What is the InChIKey of 1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine?
The InChIKey is DTFRKRQXOGUIHN-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H16N3P/c9-8-7(3-6-11(8)12)10-4-1-2-5-10/h7,9H,1-6,12H2/b9-8-.
What are the key properties of 1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine?
1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine has a molecular weight of 185.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanyl-3-pyrrolidin-1-ylpyrrolidin-2-imine is sourced from PubChem (CID 175039586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).