[dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate

C20H42N2O4Sn — CID 141249453

IUPAC[dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate
SMILESCCCC[Sn](CCCC)(OC(=O)C(CCC)NC)OC(=O)C(CCC)NC
InChIInChI=1S/2C6H13NO2.2C4H9.Sn/c2*1-3-4-5(7-2)6(8)9;2*1-3-4-2;/h2*5,7H,3-4H2,1-2H3,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyAJVXGUFMJXTYFU-UHFFFAOYSA-L
MW493.28 g/mol
LogP3.89
Rot. Bonds16

About [dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate

[dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate (PubChem CID 141249453) has the molecular formula C20H42N2O4Sn and a molecular weight of 493.28 g/mol. Its IUPAC name is [dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate.

Molecular Properties

Compound Name[dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate
PubChem CID141249453
Molecular FormulaC20H42N2O4Sn
Molecular Weight493.28 g/mol
Exact Mass494.22
IUPAC Name[dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate
SMILESCCCC[Sn](CCCC)(OC(=O)C(CCC)NC)OC(=O)C(CCC)NC
InChIInChI=1S/2C6H13NO2.2C4H9.Sn/c2*1-3-4-5(7-2)6(8)9;2*1-3-4-2;/h2*5,7H,3-4H2,1-2H3,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyAJVXGUFMJXTYFU-UHFFFAOYSA-L
XLogP3.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.28
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[dibutyl-(2-methyl-4-sulfanylbutanoyl)oxystannyl] 2-methyl-4-sulfanylbutanoate
CID 139785453
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
[dibutyl-[2-(2-sulfanylethyl)octanoyloxy]stannyl] 2-(2-sulfanylethyl)octanoate
CID 139680475
4-O-[dibutyl-(3-hydroxy-4-methoxy-4-oxobutanoyl)oxystannyl] 1-O-methyl 2-hydroxybutanedioate
CID 139654458
propyl 2-(methylamino)hexadecanoate
CID 174448846
(2R)-2-(methylamino)pentanoic acid
CID 15677248
[butanoyloxy(dibutyl)stannyl] butanoate
CID 16684199
ethyl 5-amino-2-(methylamino)pentanoate
CID 88589084
ethyl (2S)-2-(methylamino)-5-oxohexanoate
CID 118582584
[bis(3-methoxy-3-oxopropyl)-(2-sulfanylicosanoyloxy)stannyl] 2-sulfanylicosanoate
CID 139833057
[didodecyl-[8-methyl-2-(sulfanylmethyl)nonanoyl]oxystannyl] 8-methyl-2-(sulfanylmethyl)nonanoate
CID 139785475
(2S)-N-methyl-2-(methylamino)pentanamide
CID 143782023

Frequently Asked Questions

What is the IUPAC name of [dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate?
The IUPAC name of [dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate (CID 141249453) is [dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate.
What is the SMILES notation for [dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate?
The canonical SMILES for [dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate is CCCC[Sn](CCCC)(OC(=O)C(CCC)NC)OC(=O)C(CCC)NC.
What is the InChIKey of [dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate?
The InChIKey is AJVXGUFMJXTYFU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H13NO2.2C4H9.Sn/c2*1-3-4-5(7-2)6(8)9;2*1-3-4-2;/h2*5,7H,3-4H2,1-2H3,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate?
[dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate has a molecular weight of 493.28 g/mol, XLogP of 3.89, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl-[2-(methylamino)pentanoyloxy]stannyl] 2-(methylamino)pentanoate is sourced from PubChem (CID 141249453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).