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

C40H80N4O4P2 — CID 21277959

IUPACN,N'-bis(5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCC(C)C1OP(N(CCCCCCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)C(C(C)C)O2)C2CC(C)(C)NC(C)(C)C2)OCC1(C)C
InChIInChI=1S/C40H80N4O4P2/c1-29(2)33-35(5,6)27-45-49(47-33)43(31-23-37(9,10)41-38(11,12)24-31)21-19-17-18-20-22-44(32-25-39(13,14)42-40(15,16)26-32)50-46-28-36(7,8)34(48-50)30(3)4/h29-34,41-42H,17-28H2,1-16H3
InChIKeyGUZDOUORSHLHQZ-UHFFFAOYSA-N
MW743.05 g/mol
LogP10.42
Rot. Bonds13

About N,N'-bis(5,5-dimethyl-4-propan-2-yl-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-4-propan-2-yl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 21277959) has the molecular formula C40H80N4O4P2 and a molecular weight of 743.05 g/mol. Its IUPAC name is N,N'-bis(5,5-dimethyl-4-propan-2-yl-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-4-propan-2-yl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID21277959
Molecular FormulaC40H80N4O4P2
Molecular Weight743.05 g/mol
Exact Mass742.57
IUPAC NameN,N'-bis(5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCC(C)C1OP(N(CCCCCCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)C(C(C)C)O2)C2CC(C)(C)NC(C)(C)C2)OCC1(C)C
InChIInChI=1S/C40H80N4O4P2/c1-29(2)33-35(5,6)27-45-49(47-33)43(31-23-37(9,10)41-38(11,12)24-31)21-19-17-18-20-22-44(32-25-39(13,14)42-40(15,16)26-32)50-46-28-36(7,8)34(48-50)30(3)4/h29-34,41-42H,17-28H2,1-16H3
InChIKeyGUZDOUORSHLHQZ-UHFFFAOYSA-N
XLogP10.42
TPSA67.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.05
LogP ≤ 510.42
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-4-propan-2-yl-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-4-propan-2-yl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (CID 21277959) is N,N'-bis(5,5-dimethyl-4-propan-2-yl-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-4-propan-2-yl-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-4-propan-2-yl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is CC(C)C1OP(N(CCCCCCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)C(C(C)C)O2)C2CC(C)(C)NC(C)(C)C2)OCC1(C)C.
What is the InChIKey of N,N'-bis(5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is GUZDOUORSHLHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H80N4O4P2/c1-29(2)33-35(5,6)27-45-49(47-33)43(31-23-37(9,10)41-38(11,12)24-31)21-19-17-18-20-22-44(32-25-39(13,14)42-40(15,16)26-32)50-46-28-36(7,8)34(48-50)30(3)4/h29-34,41-42H,17-28H2,1-16H3.
What are the key properties of N,N'-bis(5,5-dimethyl-4-propan-2-yl-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-4-propan-2-yl-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 743.05 g/mol, XLogP of 10.42, 13 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-4-propan-2-yl-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 21277959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).