N,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine

C22H52N2O4Si2 — CID 154151474

IUPACN,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine
SMILESCCO[SiH](OCC)C(C)CCNCCCCCCNCCC(C)[SiH](OCC)OCC
InChIInChI=1S/C22H52N2O4Si2/c1-7-25-29(26-8-2)21(5)15-19-23-17-13-11-12-14-18-24-20-16-22(6)30(27-9-3)28-10-4/h21-24,29-30H,7-20H2,1-6H3
InChIKeyMVORXBFXCFXXPF-UHFFFAOYSA-N
MW464.84 g/mol
LogP3.87
Rot. Bonds23

About N,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine

N,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine (PubChem CID 154151474) has the molecular formula C22H52N2O4Si2 and a molecular weight of 464.84 g/mol. Its IUPAC name is N,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine
PubChem CID154151474
Molecular FormulaC22H52N2O4Si2
Molecular Weight464.84 g/mol
Exact Mass464.35
IUPAC NameN,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine
SMILESCCO[SiH](OCC)C(C)CCNCCCCCCNCCC(C)[SiH](OCC)OCC
InChIInChI=1S/C22H52N2O4Si2/c1-7-25-29(26-8-2)21(5)15-19-23-17-13-11-12-14-18-24-20-16-22(6)30(27-9-3)28-10-4/h21-24,29-30H,7-20H2,1-6H3
InChIKeyMVORXBFXCFXXPF-UHFFFAOYSA-N
XLogP3.87
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.84
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine?
The IUPAC name of N,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine (CID 154151474) is N,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine?
The canonical SMILES for N,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine is CCO[SiH](OCC)C(C)CCNCCCCCCNCCC(C)[SiH](OCC)OCC.
What is the InChIKey of N,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine?
The InChIKey is MVORXBFXCFXXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H52N2O4Si2/c1-7-25-29(26-8-2)21(5)15-19-23-17-13-11-12-14-18-24-20-16-22(6)30(27-9-3)28-10-4/h21-24,29-30H,7-20H2,1-6H3.
What are the key properties of N,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine?
N,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine has a molecular weight of 464.84 g/mol, XLogP of 3.87, 23 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine is sourced from PubChem (CID 154151474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).