bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine

C79H170N12O36P12 — CID 167590116

About bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine

bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine (PubChem CID 167590116) has the molecular formula C79H170N12O36P12 and a molecular weight of 2235.96 g/mol. Its IUPAC name is bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine.

Molecular Properties

• Compound Name: bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine
• PubChem CID: 167590116
• Molecular Formula: C79H170N12O36P12
• Molecular Weight: 2235.96 g/mol
• Exact Mass: 2234.87
• IUPAC Name: bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine
• SMILES: CC1(C)CCOP(=O)(NCCNP2(=O)OCC(C)(C)CO2)OCC1.CC1(C)COP(=O)(NCCCCNP2(=O)OCC(C)(C)CO2)OC1.CC1(C)COP(=O)(NCCCCNP2(=O)OCC(C)(C)CO2)OC1.CC1(C)COP(=O)(NCCNP2(=O)OCC(C)(C)CO2)OC1.CCC1(C)COP(=O)(NCNP2(=O)OCC(C)(C)CO2)OC1.CN(CCNP1(=O)OCC(C)(C)CO1)P1(=O)OCC(C)(C)CO1
• InChI: InChI=1S/3C14H30N2O6P2.C13H28N2O6P2.2C12H26N2O6P2/c1-13(2)5-9-19-23(17,20-10-6-13)15-7-8-16-24(18)21-11-14(3,4)12-22-24;2*1-13(2)9-19-23(17,20-10-13)15-7-5-6-8-16-24(18)21-11-14(3,4)12-22-24;1-12(2)8-18-22(16,19-9-12)14-6-7-15(5)23(17)20-10-13(3,4)11-21-23;1-11(2)7-17-21(15,18-8-11)13-5-6-14-22(16)19-9-12(3,4)10-20-22;1-5-12(4)8-19-22(16,20-9-12)14-10-13-21(15)17-6-11(2,3)7-18-21/h3*5-12H2,1-4H3,(H,15,17)(H,16,18);6-11H2,1-5H3,(H,14,16);2*5-10H2,1-4H3,(H,13,15)(H,14,16)
• InChIKey: IIBBWTLCFCCKOC-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 561.93 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 34
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.96
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine?

The IUPAC name of bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine (CID 167590116) is bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine.

What is the SMILES notation for bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine?

The canonical SMILES for bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine is CC1(C)CCOP(=O)(NCCNP2(=O)OCC(C)(C)CO2)OCC1.CC1(C)COP(=O)(NCCCCNP2(=O)OCC(C)(C)CO2)OC1.CC1(C)COP(=O)(NCCCCNP2(=O)OCC(C)(C)CO2)OC1.CC1(C)COP(=O)(NCCNP2(=O)OCC(C)(C)CO2)OC1.CCC1(C)COP(=O)(NCNP2(=O)OCC(C)(C)CO2)OC1.CN(CCNP1(=O)OCC(C)(C)CO1)P1(=O)OCC(C)(C)CO1.

What is the InChIKey of bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine?

The InChIKey is IIBBWTLCFCCKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H30N2O6P2.C13H28N2O6P2.2C12H26N2O6P2/c1-13(2)5-9-19-23(17,20-10-6-13)15-7-8-16-24(18)21-11-14(3,4)12-22-24;2*1-13(2)9-19-23(17,20-10-13)15-7-5-6-8-16-24(18)21-11-14(3,4)12-22-24;1-12(2)8-18-22(16,19-9-12)14-6-7-15(5)23(17)20-10-13(3,4)11-21-23;1-11(2)7-17-21(15,18-8-11)13-5-6-14-22(16)19-9-12(3,4)10-20-22;1-5-12(4)8-19-22(16,20-9-12)14-10-13-21(15)17-6-11(2,3)7-18-21/h3*5-12H2,1-4H3,(H,15,17)(H,16,18);6-11H2,1-5H3,(H,14,16);2*5-10H2,1-4H3,(H,13,15)(H,14,16).

What are the key properties of bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine?

bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine has a molecular weight of 2235.96 g/mol, XLogP of 18.20, 34 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine is sourced from PubChem (CID 167590116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).