N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine

C29H66N2O2Si2 — CID 123765930

About N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine

N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine (PubChem CID 123765930) has the molecular formula C29H66N2O2Si2 and a molecular weight of 531.03 g/mol. Its IUPAC name is N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine
• PubChem CID: 123765930
• Molecular Formula: C29H66N2O2Si2
• Molecular Weight: 531.03 g/mol
• Exact Mass: 530.47
• IUPAC Name: N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine
• SMILES: CCCC(C)(O[Si](C)(CCCNCCN)C(C)(CC)CC)C(CC)(CC)[Si](C)(C)OC(C)(C)CC
• InChI: InChI=1S/C29H66N2O2Si2/c1-14-21-28(10,29(18-5,19-6)34(11,12)32-26(7,8)15-2)33-35(13,27(9,16-3)17-4)25-20-23-31-24-22-30/h31H,14-25,30H2,1-13H3
• InChIKey: KSWOOGGMVFRFCC-UHFFFAOYSA-N
• XLogP: 8.63
• TPSA: 56.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.03
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine?

The IUPAC name of N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine (CID 123765930) is N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine.

What is the SMILES notation for N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine?

The canonical SMILES for N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine is CCCC(C)(O[Si](C)(CCCNCCN)C(C)(CC)CC)C(CC)(CC)[Si](C)(C)OC(C)(C)CC.

What is the InChIKey of N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine?

The InChIKey is KSWOOGGMVFRFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H66N2O2Si2/c1-14-21-28(10,29(18-5,19-6)34(11,12)32-26(7,8)15-2)33-35(13,27(9,16-3)17-4)25-20-23-31-24-22-30/h31H,14-25,30H2,1-13H3.

What are the key properties of N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine?

N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine has a molecular weight of 531.03 g/mol, XLogP of 8.63, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-[[3-[dimethyl(2-methylbutan-2-yloxy)silyl]-3-ethyl-4-methylheptan-4-yl]oxy-methyl-(3-methylpentan-3-yl)silyl]propyl]ethane-1,2-diamine is sourced from PubChem (CID 123765930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).