N'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine

C12H30N2O2Si — CID 87181392

IUPACN'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine
SMILESCCO[Si](C)(CNCCCCCCN)OCC
InChIInChI=1S/C12H30N2O2Si/c1-4-15-17(3,16-5-2)12-14-11-9-7-6-8-10-13/h14H,4-13H2,1-3H3
InChIKeyKCVYFJJCVIVNOA-UHFFFAOYSA-N
MW262.47 g/mol
LogP1.78
Rot. Bonds12

About N'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine

N'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine (PubChem CID 87181392) has the molecular formula C12H30N2O2Si and a molecular weight of 262.47 g/mol. Its IUPAC name is N'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine
PubChem CID87181392
Molecular FormulaC12H30N2O2Si
Molecular Weight262.47 g/mol
Exact Mass262.21
IUPAC NameN'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine
SMILESCCO[Si](C)(CNCCCCCCN)OCC
InChIInChI=1S/C12H30N2O2Si/c1-4-15-17(3,16-5-2)12-14-11-9-7-6-8-10-13/h14H,4-13H2,1-3H3
InChIKeyKCVYFJJCVIVNOA-UHFFFAOYSA-N
XLogP1.78
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine?
The IUPAC name of N'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine (CID 87181392) is N'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine.
What is the SMILES notation for N'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine?
The canonical SMILES for N'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine is CCO[Si](C)(CNCCCCCCN)OCC.
What is the InChIKey of N'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine?
The InChIKey is KCVYFJJCVIVNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O2Si/c1-4-15-17(3,16-5-2)12-14-11-9-7-6-8-10-13/h14H,4-13H2,1-3H3.
What are the key properties of N'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine?
N'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine has a molecular weight of 262.47 g/mol, XLogP of 1.78, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[diethoxy(methyl)silyl]methyl]hexane-1,6-diamine is sourced from PubChem (CID 87181392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).