5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine

C16H36N2O3Si — CID 174522138

IUPAC5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine
SMILESCCOC1(CCC(N)CCN)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C16H36N2O3Si/c1-4-19-16(12-9-15(18)10-13-17)11-7-8-14-22(16,20-5-2)21-6-3/h15H,4-14,17-18H2,1-3H3
InChIKeyFFEOTZNRYSIHHA-UHFFFAOYSA-N
MW332.56 g/mol
LogP2.46
Rot. Bonds11

About 5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine

5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine (PubChem CID 174522138) has the molecular formula C16H36N2O3Si and a molecular weight of 332.56 g/mol. Its IUPAC name is 5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine
PubChem CID174522138
Molecular FormulaC16H36N2O3Si
Molecular Weight332.56 g/mol
Exact Mass332.25
IUPAC Name5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine
SMILESCCOC1(CCC(N)CCN)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C16H36N2O3Si/c1-4-19-16(12-9-15(18)10-13-17)11-7-8-14-22(16,20-5-2)21-6-3/h15H,4-14,17-18H2,1-3H3
InChIKeyFFEOTZNRYSIHHA-UHFFFAOYSA-N
XLogP2.46
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1,1,2-triethoxysilinan-2-yl)methyl acetate
CID 174525349
propanoic acid;1,1,2-triethoxy-2-ethylsilinane
CID 174783066
4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane
CID 174706087
2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane
CID 174976602
phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane
CID 174609072
4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane
CID 174609070
1,1,2,2-tetraethoxysilinane
CID 174248265
toluene;1,1,2-triethoxy-2-ethylsilinane
CID 174816258
phenanthrene;1,1,2-triethoxy-2-ethylsilinane
CID 174932363
N-methylprop-2-enamide;1,1,2-triethoxy-2-ethylsilinane
CID 174864706
2-cyclopropyl-1,1,2-triethoxysilinane
CID 174341764
[2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane
CID 174964240

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine?
The IUPAC name of 5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine (CID 174522138) is 5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine.
What is the SMILES notation for 5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine?
The canonical SMILES for 5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine is CCOC1(CCC(N)CCN)CCCC[Si]1(OCC)OCC.
What is the InChIKey of 5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine?
The InChIKey is FFEOTZNRYSIHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O3Si/c1-4-19-16(12-9-15(18)10-13-17)11-7-8-14-22(16,20-5-2)21-6-3/h15H,4-14,17-18H2,1-3H3.
What are the key properties of 5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine?
5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine has a molecular weight of 332.56 g/mol, XLogP of 2.46, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine is sourced from PubChem (CID 174522138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).