3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine

C33H68N6O4P2 — CID 21277939

IUPAC3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine
SMILESCN(C)CCN(C1CC(C)(C)N(C)C(C)(C)C1)P1OCC2(CO1)COP(N(CCN(C)C)C1CC(C)(C)N(C)C(C)(C)C1)OC2
InChIInChI=1S/C33H68N6O4P2/c1-29(2)19-27(20-30(3,4)36(29)13)38(17-15-34(9)10)44-40-23-33(24-41-44)25-42-45(43-26-33)39(18-16-35(11)12)28-21-31(5,6)37(14)32(7,8)22-28/h27-28H,15-26H2,1-14H3
InChIKeyPKAYNDNPIJUEHB-UHFFFAOYSA-N
MW674.89 g/mol
LogP5.55
Rot. Bonds10

About 3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine

3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine (PubChem CID 21277939) has the molecular formula C33H68N6O4P2 and a molecular weight of 674.89 g/mol. Its IUPAC name is 3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine.

Molecular Properties

Compound Name3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine
PubChem CID21277939
Molecular FormulaC33H68N6O4P2
Molecular Weight674.89 g/mol
Exact Mass674.48
IUPAC Name3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine
SMILESCN(C)CCN(C1CC(C)(C)N(C)C(C)(C)C1)P1OCC2(CO1)COP(N(CCN(C)C)C1CC(C)(C)N(C)C(C)(C)C1)OC2
InChIInChI=1S/C33H68N6O4P2/c1-29(2)19-27(20-30(3,4)36(29)13)38(17-15-34(9)10)44-40-23-33(24-41-44)25-42-45(43-26-33)39(18-16-35(11)12)28-21-31(5,6)37(14)32(7,8)22-28/h27-28H,15-26H2,1-14H3
InChIKeyPKAYNDNPIJUEHB-UHFFFAOYSA-N
XLogP5.55
TPSA56.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.89
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-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-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine?
The IUPAC name of 3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine (CID 21277939) is 3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-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-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine?
The canonical SMILES for 3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine is CN(C)CCN(C1CC(C)(C)N(C)C(C)(C)C1)P1OCC2(CO1)COP(N(CCN(C)C)C1CC(C)(C)N(C)C(C)(C)C1)OC2.
What is the InChIKey of 3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine?
The InChIKey is PKAYNDNPIJUEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68N6O4P2/c1-29(2)19-27(20-30(3,4)36(29)13)38(17-15-34(9)10)44-40-23-33(24-41-44)25-42-45(43-26-33)39(18-16-35(11)12)28-21-31(5,6)37(14)32(7,8)22-28/h27-28H,15-26H2,1-14H3.
What are the key properties of 3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine?
3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine has a molecular weight of 674.89 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,9-N-bis[2-(dimethylamino)ethyl]-3-N,9-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diamine is sourced from PubChem (CID 21277939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).