N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine

C35H82N2O8Si4 — CID 172829871

IUPACN,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine
SMILESCCO[SiH](OCC)C(C)CCN(CCCN(CCC(C)[SiH](OCC)OCC)CCC(C)[SiH](OCC)OCC)CCC(C)[SiH](OCC)OCC
InChIInChI=1S/C35H82N2O8Si4/c1-13-38-46(39-14-2)32(9)22-28-36(29-23-33(10)47(40-15-3)41-16-4)26-21-27-37(30-24-34(11)48(42-17-5)43-18-6)31-25-35(12)49(44-19-7)45-20-8/h32-35,46-49H,13-31H2,1-12H3
InChIKeyVJFRTVHLSIMNIK-UHFFFAOYSA-N
MW771.39 g/mol
LogP6.28
Rot. Bonds36

About N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine

N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine (PubChem CID 172829871) has the molecular formula C35H82N2O8Si4 and a molecular weight of 771.39 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine
PubChem CID172829871
Molecular FormulaC35H82N2O8Si4
Molecular Weight771.39 g/mol
Exact Mass770.51
IUPAC NameN,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine
SMILESCCO[SiH](OCC)C(C)CCN(CCCN(CCC(C)[SiH](OCC)OCC)CCC(C)[SiH](OCC)OCC)CCC(C)[SiH](OCC)OCC
InChIInChI=1S/C35H82N2O8Si4/c1-13-38-46(39-14-2)32(9)22-28-36(29-23-33(10)47(40-15-3)41-16-4)26-21-27-37(30-24-34(11)48(42-17-5)43-18-6)31-25-35(12)49(44-19-7)45-20-8/h32-35,46-49H,13-31H2,1-12H3
InChIKeyVJFRTVHLSIMNIK-UHFFFAOYSA-N
XLogP6.28
TPSA80.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds36
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.39
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine
CID 154358148
1-N,1-N-didodecylbutane-1,3-diamine
CID 88670159
3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol
CID 139910076
6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine
CID 175408997
N-(3-methylbutyl)-N-octadecyloctadecan-1-amine
CID 139724073
N-heptyl-N-(3-methylbutyl)heptan-1-amine
CID 139723381
N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine
CID 172714286
1-diethoxysilyl-N,N-diethoxypropan-1-amine
CID 173020312
N-[2-[ethoxy(methyl)silyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 154410173
4-(dibutylamino)-2-methylbutan-1-ol
CID 87479894
4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
CID 139723855
N-butyl-N-(2-chloroethyl)-3-methylbutan-1-amine
CID 63389517

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine?
The IUPAC name of N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine (CID 172829871) is N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine is CCO[SiH](OCC)C(C)CCN(CCCN(CCC(C)[SiH](OCC)OCC)CCC(C)[SiH](OCC)OCC)CCC(C)[SiH](OCC)OCC.
What is the InChIKey of N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine?
The InChIKey is VJFRTVHLSIMNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H82N2O8Si4/c1-13-38-46(39-14-2)32(9)22-28-36(29-23-33(10)47(40-15-3)41-16-4)26-21-27-37(30-24-34(11)48(42-17-5)43-18-6)31-25-35(12)49(44-19-7)45-20-8/h32-35,46-49H,13-31H2,1-12H3.
What are the key properties of N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine?
N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine has a molecular weight of 771.39 g/mol, XLogP of 6.28, 36 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine is sourced from PubChem (CID 172829871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).