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

C30H60N4O4P2 — CID 21277968

IUPACN,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC1(C)COP(N(CCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)C2CC(C)(C)NC(C)(C)C2)OC1
InChIInChI=1S/C30H60N4O4P2/c1-25(2)19-35-39(36-20-25)33(23-15-27(5,6)31-28(7,8)16-23)13-14-34(40-37-21-26(3,4)22-38-40)24-17-29(9,10)32-30(11,12)18-24/h23-24,31-32H,13-22H2,1-12H3
InChIKeyYURWSZQZQQQANY-UHFFFAOYSA-N
MW602.78 g/mol
LogP6.81
Rot. Bonds7

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

N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 21277968) has the molecular formula C30H60N4O4P2 and a molecular weight of 602.78 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)ethane-1,2-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)ethane-1,2-diamine
PubChem CID21277968
Molecular FormulaC30H60N4O4P2
Molecular Weight602.78 g/mol
Exact Mass602.41
IUPAC NameN,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC1(C)COP(N(CCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)C2CC(C)(C)NC(C)(C)C2)OC1
InChIInChI=1S/C30H60N4O4P2/c1-25(2)19-35-39(36-20-25)33(23-15-27(5,6)31-28(7,8)16-23)13-14-34(40-37-21-26(3,4)22-38-40)24-17-29(9,10)32-30(11,12)18-24/h23-24,31-32H,13-22H2,1-12H3
InChIKeyYURWSZQZQQQANY-UHFFFAOYSA-N
XLogP6.81
TPSA67.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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)ethane-1,2-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)ethane-1,2-diamine (CID 21277968) is N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-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)ethane-1,2-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)ethane-1,2-diamine is CC1(C)COP(N(CCN(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)ethane-1,2-diamine?
The InChIKey is YURWSZQZQQQANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N4O4P2/c1-25(2)19-35-39(36-20-25)33(23-15-27(5,6)31-28(7,8)16-23)13-14-34(40-37-21-26(3,4)22-38-40)24-17-29(9,10)32-30(11,12)18-24/h23-24,31-32H,13-22H2,1-12H3.
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)ethane-1,2-diamine?
N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 602.78 g/mol, XLogP of 6.81, 7 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)ethane-1,2-diamine is sourced from PubChem (CID 21277968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).