N-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine

C31H63N5O4P2 — CID 88626896

IUPACN-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC1CCOP(N(CCN(C)CCN(C2CC(C)(C)NC(C)(C)C2)P2OCCC(C)O2)C2CC(C)(C)NC(C)(C)C2)O1
InChIInChI=1S/C31H63N5O4P2/c1-24-12-18-37-41(39-24)35(26-20-28(3,4)32-29(5,6)21-26)16-14-34(11)15-17-36(42-38-19-13-25(2)40-42)27-22-30(7,8)33-31(9,10)23-27/h24-27,32-33H,12-23H2,1-11H3
InChIKeyBNQSDFFKXWDKGP-UHFFFAOYSA-N
MW631.82 g/mol
LogP6.25
Rot. Bonds10

About N-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine

N-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 88626896) has the molecular formula C31H63N5O4P2 and a molecular weight of 631.82 g/mol. Its IUPAC name is N-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID88626896
Molecular FormulaC31H63N5O4P2
Molecular Weight631.82 g/mol
Exact Mass631.44
IUPAC NameN-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC1CCOP(N(CCN(C)CCN(C2CC(C)(C)NC(C)(C)C2)P2OCCC(C)O2)C2CC(C)(C)NC(C)(C)C2)O1
InChIInChI=1S/C31H63N5O4P2/c1-24-12-18-37-41(39-24)35(26-20-28(3,4)32-29(5,6)21-26)16-14-34(11)15-17-36(42-38-19-13-25(2)40-42)27-22-30(7,8)33-31(9,10)23-27/h24-27,32-33H,12-23H2,1-11H3
InChIKeyBNQSDFFKXWDKGP-UHFFFAOYSA-N
XLogP6.25
TPSA70.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.82
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine (CID 88626896) is N-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine is CC1CCOP(N(CCN(C)CCN(C2CC(C)(C)NC(C)(C)C2)P2OCCC(C)O2)C2CC(C)(C)NC(C)(C)C2)O1.
What is the InChIKey of N-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is BNQSDFFKXWDKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H63N5O4P2/c1-24-12-18-37-41(39-24)35(26-20-28(3,4)32-29(5,6)21-26)16-14-34(11)15-17-36(42-38-19-13-25(2)40-42)27-22-30(7,8)33-31(9,10)23-27/h24-27,32-33H,12-23H2,1-11H3.
What are the key properties of N-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
N-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 631.82 g/mol, XLogP of 6.25, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 88626896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).