N-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine

C38H76N4O5P2 — CID 21277935

IUPACN-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCCCCN(C1CC(C)(C)NC(C)(C)C1)P1OCC(CC)(COCC2(CC)COP(N(CCCC)C3CC(C)(C)NC(C)(C)C3)OC2)CO1
InChIInChI=1S/C38H76N4O5P2/c1-13-17-19-41(31-21-33(5,6)39-34(7,8)22-31)48-44-27-37(15-3,28-45-48)25-43-26-38(16-4)29-46-49(47-30-38)42(20-18-14-2)32-23-35(9,10)40-36(11,12)24-32/h31-32,39-40H,13-30H2,1-12H3
InChIKeyMUEVGEVAQSPUID-UHFFFAOYSA-N
MW731.00 g/mol
LogP9.17
Rot. Bonds16

About N-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine

N-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 21277935) has the molecular formula C38H76N4O5P2 and a molecular weight of 731.00 g/mol. Its IUPAC name is N-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID21277935
Molecular FormulaC38H76N4O5P2
Molecular Weight731.00 g/mol
Exact Mass730.53
IUPAC NameN-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCCCCN(C1CC(C)(C)NC(C)(C)C1)P1OCC(CC)(COCC2(CC)COP(N(CCCC)C3CC(C)(C)NC(C)(C)C3)OC2)CO1
InChIInChI=1S/C38H76N4O5P2/c1-13-17-19-41(31-21-33(5,6)39-34(7,8)22-31)48-44-27-37(15-3,28-45-48)25-43-26-38(16-4)29-46-49(47-30-38)42(20-18-14-2)32-23-35(9,10)40-36(11,12)24-32/h31-32,39-40H,13-30H2,1-12H3
InChIKeyMUEVGEVAQSPUID-UHFFFAOYSA-N
XLogP9.17
TPSA76.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.00
LogP ≤ 59.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 21277935) is N-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine is CCCCN(C1CC(C)(C)NC(C)(C)C1)P1OCC(CC)(COCC2(CC)COP(N(CCCC)C3CC(C)(C)NC(C)(C)C3)OC2)CO1.
What is the InChIKey of N-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is MUEVGEVAQSPUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H76N4O5P2/c1-13-17-19-41(31-21-33(5,6)39-34(7,8)22-31)48-44-27-37(15-3,28-45-48)25-43-26-38(16-4)29-46-49(47-30-38)42(20-18-14-2)32-23-35(9,10)40-36(11,12)24-32/h31-32,39-40H,13-30H2,1-12H3.
What are the key properties of N-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 731.00 g/mol, XLogP of 9.17, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[5-[[2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-ethyl-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-5-ethyl-1,3,2-dioxaphosphinan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 21277935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).