N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane

C37H96N12O4Si3 — CID 158647287

About N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane

N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane (PubChem CID 158647287) has the molecular formula C37H96N12O4Si3 and a molecular weight of 857.51 g/mol. Its IUPAC name is N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane.

Molecular Properties

• Compound Name: N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane
• PubChem CID: 158647287
• Molecular Formula: C37H96N12O4Si3
• Molecular Weight: 857.51 g/mol
• Exact Mass: 856.70
• IUPAC Name: N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane
• SMILES: C.C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCC1CO1.NCCCCCN(CCN(N)CCN)CCN(CCNCCN)CCNCCN(CCN)CCN
• InChI: InChI=1S/C23H60N12.C13H32O4Si3.CH4/c24-4-2-1-3-13-32(22-23-35(29)16-8-28)20-21-34(18-10-30-9-5-25)19-12-31-11-17-33(14-6-26)15-7-27;1-18(2,3)16-20(6,7)17-19(4,5)10-8-9-14-11-13-12-15-13;/h30-31H,1-29H2;13H,8-12H2,1-7H3;1H4
• InChIKey: IBCUMUWMPNSKIH-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 233.36 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 38
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	857.51
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane?

The IUPAC name of N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane (CID 158647287) is N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane.

What is the SMILES notation for N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane?

The canonical SMILES for N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane is C.C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCC1CO1.NCCCCCN(CCN(N)CCN)CCN(CCNCCN)CCNCCN(CCN)CCN.

What is the InChIKey of N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane?

The InChIKey is IBCUMUWMPNSKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H60N12.C13H32O4Si3.CH4/c24-4-2-1-3-13-32(22-23-35(29)16-8-28)20-21-34(18-10-30-9-5-25)19-12-31-11-17-33(14-6-26)15-7-27;1-18(2,3)16-20(6,7)17-19(4,5)10-8-9-14-11-13-12-15-13;/h30-31H,1-29H2;13H,8-12H2,1-7H3;1H4.

What are the key properties of N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane?

N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane has a molecular weight of 857.51 g/mol, XLogP of 0.41, 38 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-trimethylsilyloxysilane;methane is sourced from PubChem (CID 158647287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).