N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine

C22H52N2O4Si2 — CID 172714286

IUPACN,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine
SMILESCO[SiH](OC)C(C)CCN(C)CCCCCCCCN(C)CCC(C)[SiH](OC)OC
InChIInChI=1S/C22H52N2O4Si2/c1-21(29(25-5)26-6)15-19-23(3)17-13-11-9-10-12-14-18-24(4)20-16-22(2)30(27-7)28-8/h21-22,29-30H,9-20H2,1-8H3
InChIKeyFQRMUYQGCMALRM-UHFFFAOYSA-N
MW464.84 g/mol
LogP3.78
Rot. Bonds21

About N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine

N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine (PubChem CID 172714286) has the molecular formula C22H52N2O4Si2 and a molecular weight of 464.84 g/mol. Its IUPAC name is N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine.

Molecular Properties

Compound NameN,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine
PubChem CID172714286
Molecular FormulaC22H52N2O4Si2
Molecular Weight464.84 g/mol
Exact Mass464.35
IUPAC NameN,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine
SMILESCO[SiH](OC)C(C)CCN(C)CCCCCCCCN(C)CCC(C)[SiH](OC)OC
InChIInChI=1S/C22H52N2O4Si2/c1-21(29(25-5)26-6)15-19-23(3)17-13-11-9-10-12-14-18-24(4)20-16-22(2)30(27-7)28-8/h21-22,29-30H,9-20H2,1-8H3
InChIKeyFQRMUYQGCMALRM-UHFFFAOYSA-N
XLogP3.78
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.84
LogP ≤ 53.78
H-Bond Donors ≤ 50
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

3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine
CID 154358148
dimethoxy(tridecan-2-yl)silane
CID 174991319
5-dimethoxysilylhexyl(ethyl)carbamic acid
CID 173191114
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine
CID 171725800
N,7-dimethyl-N-propylnonan-1-amine
CID 174179101
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
4-[9-bromononyl(methyl)amino]butan-2-ol
CID 105343869
4-(3-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane
CID 154083059
N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 61425657
5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol
CID 107204197
3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide
CID 159975973

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine?
The IUPAC name of N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine (CID 172714286) is N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine.
What is the SMILES notation for N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine?
The canonical SMILES for N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine is CO[SiH](OC)C(C)CCN(C)CCCCCCCCN(C)CCC(C)[SiH](OC)OC.
What is the InChIKey of N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine?
The InChIKey is FQRMUYQGCMALRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H52N2O4Si2/c1-21(29(25-5)26-6)15-19-23(3)17-13-11-9-10-12-14-18-24(4)20-16-22(2)30(27-7)28-8/h21-22,29-30H,9-20H2,1-8H3.
What are the key properties of N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine?
N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine has a molecular weight of 464.84 g/mol, XLogP of 3.78, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine is sourced from PubChem (CID 172714286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).