N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine

C32H72N2O5Si2 — CID 171623525

IUPACN-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
SMILESCCCCNCCCCCCCC[Si](OCC)(OCC)O[Si](CCCCCCCCNCCCC)(OCC)OCC
InChIInChI=1S/C32H72N2O5Si2/c1-7-13-27-33-29-23-19-15-17-21-25-31-40(35-9-3,36-10-4)39-41(37-11-5,38-12-6)32-26-22-18-16-20-24-30-34-28-14-8-2/h33-34H,7-32H2,1-6H3
InChIKeyZOBXXDMDEYRRPF-UHFFFAOYSA-N
MW621.11 g/mol
LogP8.49
Rot. Bonds34

About N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine

N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine (PubChem CID 171623525) has the molecular formula C32H72N2O5Si2 and a molecular weight of 621.11 g/mol. Its IUPAC name is N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine.

Molecular Properties

Compound NameN-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
PubChem CID171623525
Molecular FormulaC32H72N2O5Si2
Molecular Weight621.11 g/mol
Exact Mass620.50
IUPAC NameN-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
SMILESCCCCNCCCCCCCC[Si](OCC)(OCC)O[Si](CCCCCCCCNCCCC)(OCC)OCC
InChIInChI=1S/C32H72N2O5Si2/c1-7-13-27-33-29-23-19-15-17-21-25-31-40(35-9-3,36-10-4)39-41(37-11-5,38-12-6)32-26-22-18-16-20-24-30-34-28-14-8-2/h33-34H,7-32H2,1-6H3
InChIKeyZOBXXDMDEYRRPF-UHFFFAOYSA-N
XLogP8.49
TPSA70.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds34
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.11
LogP ≤ 58.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
CID 171623492
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine
CID 171623472
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435
N-ethyl-3-triethoxysilylpropan-1-amine;silane
CID 161213931
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044

Frequently Asked Questions

What is the IUPAC name of N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine?
The IUPAC name of N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine (CID 171623525) is N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine.
What is the SMILES notation for N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine?
The canonical SMILES for N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine is CCCCNCCCCCCCC[Si](OCC)(OCC)O[Si](CCCCCCCCNCCCC)(OCC)OCC.
What is the InChIKey of N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine?
The InChIKey is ZOBXXDMDEYRRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H72N2O5Si2/c1-7-13-27-33-29-23-19-15-17-21-25-31-40(35-9-3,36-10-4)39-41(37-11-5,38-12-6)32-26-22-18-16-20-24-30-34-28-14-8-2/h33-34H,7-32H2,1-6H3.
What are the key properties of N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine?
N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine has a molecular weight of 621.11 g/mol, XLogP of 8.49, 34 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine is sourced from PubChem (CID 171623525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).