N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine

C35H70N4O4P2 — CID 21277977

IUPACN,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine
SMILESCC1CC(C)(C)OP(N(CCCN(C2CC(C)(C)N(C)C(C)(C)C2)P2OC(C)CC(C)(C)O2)C2CC(C)(C)N(C)C(C)(C)C2)O1
InChIInChI=1S/C35H70N4O4P2/c1-26-20-34(11,12)42-44(40-26)38(28-22-30(3,4)36(15)31(5,6)23-28)18-17-19-39(45-41-27(2)21-35(13,14)43-45)29-24-32(7,8)37(16)33(9,10)25-29/h26-29H,17-25H2,1-16H3
InChIKeyAGJFCFYNHUOVBA-UHFFFAOYSA-N
MW672.92 g/mol
LogP8.95
Rot. Bonds8

About N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine

N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine (PubChem CID 21277977) has the molecular formula C35H70N4O4P2 and a molecular weight of 672.92 g/mol. Its IUPAC name is N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine
PubChem CID21277977
Molecular FormulaC35H70N4O4P2
Molecular Weight672.92 g/mol
Exact Mass672.49
IUPAC NameN,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine
SMILESCC1CC(C)(C)OP(N(CCCN(C2CC(C)(C)N(C)C(C)(C)C2)P2OC(C)CC(C)(C)O2)C2CC(C)(C)N(C)C(C)(C)C2)O1
InChIInChI=1S/C35H70N4O4P2/c1-26-20-34(11,12)42-44(40-26)38(28-22-30(3,4)36(15)31(5,6)23-28)18-17-19-39(45-41-27(2)21-35(13,14)43-45)29-24-32(7,8)37(16)33(9,10)25-29/h26-29H,17-25H2,1-16H3
InChIKeyAGJFCFYNHUOVBA-UHFFFAOYSA-N
XLogP8.95
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.92
LogP ≤ 58.95
H-Bond Donors ≤ 50
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(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine?
The IUPAC name of N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine (CID 21277977) is N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine is CC1CC(C)(C)OP(N(CCCN(C2CC(C)(C)N(C)C(C)(C)C2)P2OC(C)CC(C)(C)O2)C2CC(C)(C)N(C)C(C)(C)C2)O1.
What is the InChIKey of N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine?
The InChIKey is AGJFCFYNHUOVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H70N4O4P2/c1-26-20-34(11,12)42-44(40-26)38(28-22-30(3,4)36(15)31(5,6)23-28)18-17-19-39(45-41-27(2)21-35(13,14)43-45)29-24-32(7,8)37(16)33(9,10)25-29/h26-29H,17-25H2,1-16H3.
What are the key properties of N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine?
N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine has a molecular weight of 672.92 g/mol, XLogP of 8.95, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 21277977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).