N,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine

C26H60N2O4Si2 — CID 162158714

IUPACN,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine
SMILESCCO[SiH](OCC)C(C)CCNCCCCCCCCCCNCCC(C)[SiH](OCC)OCC
InChIInChI=1S/C26H60N2O4Si2/c1-7-29-33(30-8-2)25(5)19-23-27-21-17-15-13-11-12-14-16-18-22-28-24-20-26(6)34(31-9-3)32-10-4/h25-28,33-34H,7-24H2,1-6H3
InChIKeyLGXRWAIERWUTOU-UHFFFAOYSA-N
MW520.95 g/mol
LogP5.43
Rot. Bonds27

About N,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine

N,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine (PubChem CID 162158714) has the molecular formula C26H60N2O4Si2 and a molecular weight of 520.95 g/mol. Its IUPAC name is N,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine.

Molecular Properties

Compound NameN,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine
PubChem CID162158714
Molecular FormulaC26H60N2O4Si2
Molecular Weight520.95 g/mol
Exact Mass520.41
IUPAC NameN,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine
SMILESCCO[SiH](OCC)C(C)CCNCCCCCCCCCCNCCC(C)[SiH](OCC)OCC
InChIInChI=1S/C26H60N2O4Si2/c1-7-29-33(30-8-2)25(5)19-23-27-21-17-15-13-11-12-14-16-18-22-28-24-20-26(6)34(31-9-3)32-10-4/h25-28,33-34H,7-24H2,1-6H3
InChIKeyLGXRWAIERWUTOU-UHFFFAOYSA-N
XLogP5.43
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.95
LogP ≤ 55.43
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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Related Compounds

6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine
CID 175408997
8-dimethoxysilyl-N-(3-dimethoxysilylbutyl)nonan-1-amine
CID 175409014
N-(3-dihydroxysilylbutyl)octan-1-amine
CID 173135642
N-(3-methylbutyl)heptan-1-amine
CID 22348867
N-(3,3-diethoxypropyl)-7-methyloctan-1-amine
CID 107814867
N-butyl-3-dihydroxysilylbutan-1-amine
CID 173136150
N-(3,3-diethoxypropyl)decan-1-amine
CID 81093302
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
1-N-propylnonane-1,8-diamine
CID 87246434
N-(diethoxysilylmethyl)hexan-1-amine
CID 172999709
3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride
CID 10181201

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine?
The IUPAC name of N,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine (CID 162158714) is N,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine.
What is the SMILES notation for N,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine?
The canonical SMILES for N,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine is CCO[SiH](OCC)C(C)CCNCCCCCCCCCCNCCC(C)[SiH](OCC)OCC.
What is the InChIKey of N,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine?
The InChIKey is LGXRWAIERWUTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H60N2O4Si2/c1-7-29-33(30-8-2)25(5)19-23-27-21-17-15-13-11-12-14-16-18-22-28-24-20-26(6)34(31-9-3)32-10-4/h25-28,33-34H,7-24H2,1-6H3.
What are the key properties of N,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine?
N,N'-bis(3-diethoxysilylbutyl)decane-1,10-diamine has a molecular weight of 520.95 g/mol, XLogP of 5.43, 27 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)decane-1,10-diamine is sourced from PubChem (CID 162158714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).