N,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid

C12H25N4O3P — CID 67061251

IUPACN,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid
SMILESO=P(O)(ON1CCCC1)N(N1CCCC1)N1CCCC1
InChIInChI=1S/C12H25N4O3P/c17-20(18,19-15-11-5-6-12-15)16(13-7-1-2-8-13)14-9-3-4-10-14/h1-12H2,(H,17,18)
InChIKeyPADBIBXETJUICH-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.44
Rot. Bonds5

About N,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid

N,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid (PubChem CID 67061251) has the molecular formula C12H25N4O3P and a molecular weight of 304.33 g/mol. Its IUPAC name is N,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid.

Molecular Properties

Compound NameN,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid
PubChem CID67061251
Molecular FormulaC12H25N4O3P
Molecular Weight304.33 g/mol
Exact Mass304.17
IUPAC NameN,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid
SMILESO=P(O)(ON1CCCC1)N(N1CCCC1)N1CCCC1
InChIInChI=1S/C12H25N4O3P/c17-20(18,19-15-11-5-6-12-15)16(13-7-1-2-8-13)14-9-3-4-10-14/h1-12H2,(H,17,18)
InChIKeyPADBIBXETJUICH-UHFFFAOYSA-N
XLogP1.44
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid?
The IUPAC name of N,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid (CID 67061251) is N,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid.
What is the SMILES notation for N,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid?
The canonical SMILES for N,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid is O=P(O)(ON1CCCC1)N(N1CCCC1)N1CCCC1.
What is the InChIKey of N,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid?
The InChIKey is PADBIBXETJUICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N4O3P/c17-20(18,19-15-11-5-6-12-15)16(13-7-1-2-8-13)14-9-3-4-10-14/h1-12H2,(H,17,18).
What are the key properties of N,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid?
N,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid has a molecular weight of 304.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipyrrolidin-1-yl-pyrrolidin-1-yloxyphosphonamidic acid is sourced from PubChem (CID 67061251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).