N'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine

C13H34N4OSi2 — CID 67453012

IUPACN'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine
SMILESCC1(C)CC[Si](C)(CNCCN)[Si](C)(CNCCN)O1
InChIInChI=1S/C13H34N4OSi2/c1-13(2)5-10-19(3,11-16-8-6-14)20(4,18-13)12-17-9-7-15/h16-17H,5-12,14-15H2,1-4H3
InChIKeyZYAISMCMVJGKSA-UHFFFAOYSA-N
MW318.61 g/mol
LogP0.09
Rot. Bonds8

About N'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine

N'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine (PubChem CID 67453012) has the molecular formula C13H34N4OSi2 and a molecular weight of 318.61 g/mol. Its IUPAC name is N'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine
PubChem CID67453012
Molecular FormulaC13H34N4OSi2
Molecular Weight318.61 g/mol
Exact Mass318.23
IUPAC NameN'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine
SMILESCC1(C)CC[Si](C)(CNCCN)[Si](C)(CNCCN)O1
InChIInChI=1S/C13H34N4OSi2/c1-13(2)5-10-19(3,11-16-8-6-14)20(4,18-13)12-17-9-7-15/h16-17H,5-12,14-15H2,1-4H3
InChIKeyZYAISMCMVJGKSA-UHFFFAOYSA-N
XLogP0.09
TPSA85.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.61
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine (CID 67453012) is N'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine is CC1(C)CC[Si](C)(CNCCN)[Si](C)(CNCCN)O1.
What is the InChIKey of N'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine?
The InChIKey is ZYAISMCMVJGKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H34N4OSi2/c1-13(2)5-10-19(3,11-16-8-6-14)20(4,18-13)12-17-9-7-15/h16-17H,5-12,14-15H2,1-4H3.
What are the key properties of N'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine?
N'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine has a molecular weight of 318.61 g/mol, XLogP of 0.09, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[(2-aminoethylamino)methyl]-2,3,6,6-tetramethyloxadisilinan-3-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 67453012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).