N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine

C34H68N4O4P2 — CID 21277958

IUPACN,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCC1(C)COP(N(CCCCCCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)C2CC(C)(C)NC(C)(C)C2)OC1
InChIInChI=1S/C34H68N4O4P2/c1-29(2)23-39-43(40-24-29)37(27-19-31(5,6)35-32(7,8)20-27)17-15-13-14-16-18-38(44-41-25-30(3,4)26-42-44)28-21-33(9,10)36-34(11,12)22-28/h27-28,35-36H,13-26H2,1-12H3
InChIKeyDHFCKMBTIZEEAX-UHFFFAOYSA-N
MW658.89 g/mol
LogP8.37
Rot. Bonds11

About N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine

N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 21277958) has the molecular formula C34H68N4O4P2 and a molecular weight of 658.89 g/mol. Its IUPAC name is N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID21277958
Molecular FormulaC34H68N4O4P2
Molecular Weight658.89 g/mol
Exact Mass658.47
IUPAC NameN,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCC1(C)COP(N(CCCCCCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)C2CC(C)(C)NC(C)(C)C2)OC1
InChIInChI=1S/C34H68N4O4P2/c1-29(2)23-39-43(40-24-29)37(27-19-31(5,6)35-32(7,8)20-27)17-15-13-14-16-18-38(44-41-25-30(3,4)26-42-44)28-21-33(9,10)36-34(11,12)22-28/h27-28,35-36H,13-26H2,1-12H3
InChIKeyDHFCKMBTIZEEAX-UHFFFAOYSA-N
XLogP8.37
TPSA67.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.89
LogP ≤ 58.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (CID 21277958) is N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is CC1(C)COP(N(CCCCCCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)C2CC(C)(C)NC(C)(C)C2)OC1.
What is the InChIKey of N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is DHFCKMBTIZEEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68N4O4P2/c1-29(2)23-39-43(40-24-29)37(27-19-31(5,6)35-32(7,8)20-27)17-15-13-14-16-18-38(44-41-25-30(3,4)26-42-44)28-21-33(9,10)36-34(11,12)22-28/h27-28,35-36H,13-26H2,1-12H3.
What are the key properties of N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 658.89 g/mol, XLogP of 8.37, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 21277958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).