3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine

C29H58N4O4P2 — CID 21277937

IUPAC3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine
SMILESCCCN(C1CC(C)(C)NC(C)(C)C1)P1OCC2(CO1)COP(N(CCC)C1CC(C)(C)NC(C)(C)C1)OC2
InChIInChI=1S/C29H58N4O4P2/c1-11-13-32(23-15-25(3,4)30-26(5,6)16-23)38-34-19-29(20-35-38)21-36-39(37-22-29)33(14-12-2)24-17-27(7,8)31-28(9,10)18-24/h23-24,30-31H,11-22H2,1-10H3
InChIKeyAUVUMLPILJISCG-UHFFFAOYSA-N
MW588.76 g/mol
LogP6.56
Rot. Bonds8

About 3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine

3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine (PubChem CID 21277937) has the molecular formula C29H58N4O4P2 and a molecular weight of 588.76 g/mol. Its IUPAC name is 3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine.

Molecular Properties

Compound Name3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine
PubChem CID21277937
Molecular FormulaC29H58N4O4P2
Molecular Weight588.76 g/mol
Exact Mass588.39
IUPAC Name3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine
SMILESCCCN(C1CC(C)(C)NC(C)(C)C1)P1OCC2(CO1)COP(N(CCC)C1CC(C)(C)NC(C)(C)C1)OC2
InChIInChI=1S/C29H58N4O4P2/c1-11-13-32(23-15-25(3,4)30-26(5,6)16-23)38-34-19-29(20-35-38)21-36-39(37-22-29)33(14-12-2)24-17-27(7,8)31-28(9,10)18-24/h23-24,30-31H,11-22H2,1-10H3
InChIKeyAUVUMLPILJISCG-UHFFFAOYSA-N
XLogP6.56
TPSA67.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.76
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine?
The IUPAC name of 3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine (CID 21277937) is 3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine.
What is the SMILES notation for 3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine?
The canonical SMILES for 3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine is CCCN(C1CC(C)(C)NC(C)(C)C1)P1OCC2(CO1)COP(N(CCC)C1CC(C)(C)NC(C)(C)C1)OC2.
What is the InChIKey of 3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine?
The InChIKey is AUVUMLPILJISCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N4O4P2/c1-11-13-32(23-15-25(3,4)30-26(5,6)16-23)38-34-19-29(20-35-38)21-36-39(37-22-29)33(14-12-2)24-17-27(7,8)31-28(9,10)18-24/h23-24,30-31H,11-22H2,1-10H3.
What are the key properties of 3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine?
3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine has a molecular weight of 588.76 g/mol, XLogP of 6.56, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,9-N-dipropyl-3-N,9-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine is sourced from PubChem (CID 21277937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).