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

C31H62N4O4P2 — CID 21277964

IUPACN,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
SMILESCC1(C)COP(N(CCCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)C2CC(C)(C)NC(C)(C)C2)OC1
InChIInChI=1S/C31H62N4O4P2/c1-26(2)20-36-40(37-21-26)34(24-16-28(5,6)32-29(7,8)17-24)14-13-15-35(41-38-22-27(3,4)23-39-41)25-18-30(9,10)33-31(11,12)19-25/h24-25,32-33H,13-23H2,1-12H3
InChIKeyHXIPQNUZKDDMEV-UHFFFAOYSA-N
MW616.81 g/mol
LogP7.20
Rot. Bonds8

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

N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 21277964) has the molecular formula C31H62N4O4P2 and a molecular weight of 616.81 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)propane-1,3-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)propane-1,3-diamine
PubChem CID21277964
Molecular FormulaC31H62N4O4P2
Molecular Weight616.81 g/mol
Exact Mass616.42
IUPAC NameN,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
SMILESCC1(C)COP(N(CCCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)C2CC(C)(C)NC(C)(C)C2)OC1
InChIInChI=1S/C31H62N4O4P2/c1-26(2)20-36-40(37-21-26)34(24-16-28(5,6)32-29(7,8)17-24)14-13-15-35(41-38-22-27(3,4)23-39-41)25-18-30(9,10)33-31(11,12)19-25/h24-25,32-33H,13-23H2,1-12H3
InChIKeyHXIPQNUZKDDMEV-UHFFFAOYSA-N
XLogP7.20
TPSA67.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 57.20
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)propane-1,3-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)propane-1,3-diamine (CID 21277964) is N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-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)propane-1,3-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)propane-1,3-diamine is CC1(C)COP(N(CCCN(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)propane-1,3-diamine?
The InChIKey is HXIPQNUZKDDMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62N4O4P2/c1-26(2)20-36-40(37-21-26)34(24-16-28(5,6)32-29(7,8)17-24)14-13-15-35(41-38-22-27(3,4)23-39-41)25-18-30(9,10)33-31(11,12)19-25/h24-25,32-33H,13-23H2,1-12H3.
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)propane-1,3-diamine?
N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 616.81 g/mol, XLogP of 7.20, 8 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)propane-1,3-diamine is sourced from PubChem (CID 21277964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).