N'-(1-dimethoxysilylbutyl)butane-1,4-diamine

C10H26N2O2Si — CID 173372191

IUPACN'-(1-dimethoxysilylbutyl)butane-1,4-diamine
SMILESCCCC(NCCCCN)[SiH](OC)OC
InChIInChI=1S/C10H26N2O2Si/c1-4-7-10(15(13-2)14-3)12-9-6-5-8-11/h10,12,15H,4-9,11H2,1-3H3
InChIKeyQRUSAISMHXJZNX-UHFFFAOYSA-N
MW234.42 g/mol
LogP0.54
Rot. Bonds10

About N'-(1-dimethoxysilylbutyl)butane-1,4-diamine

N'-(1-dimethoxysilylbutyl)butane-1,4-diamine (PubChem CID 173372191) has the molecular formula C10H26N2O2Si and a molecular weight of 234.42 g/mol. Its IUPAC name is N'-(1-dimethoxysilylbutyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-dimethoxysilylbutyl)butane-1,4-diamine
PubChem CID173372191
Molecular FormulaC10H26N2O2Si
Molecular Weight234.42 g/mol
Exact Mass234.18
IUPAC NameN'-(1-dimethoxysilylbutyl)butane-1,4-diamine
SMILESCCCC(NCCCCN)[SiH](OC)OC
InChIInChI=1S/C10H26N2O2Si/c1-4-7-10(15(13-2)14-3)12-9-6-5-8-11/h10,12,15H,4-9,11H2,1-3H3
InChIKeyQRUSAISMHXJZNX-UHFFFAOYSA-N
XLogP0.54
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine
CID 173372192
N'-dodecan-2-ylpentane-1,5-diamine
CID 175187271
3-amino-1-(hexylamino)propan-1-ol
CID 174419599
N'-propan-2-yloctane-1,8-diamine
CID 138605826
N'-(1-aminoethyl)butane-1,4-diamine
CID 21119792
1-N-(4-aminobutyl)heptane-1,4-diamine
CID 22395282
butan-1-amine;trimethoxysilane
CID 172840853
1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane
CID 154233230
1-diethoxysilyl-N-ethylbutan-1-amine
CID 173031845
1-N,1-N'-bis(3-aminopropyl)octane-1,1-diamine
CID 57162858
1-N'-(6-aminohexyl)hexane-1,1,6-triamine
CID 123601298
6-amino-2-(hexylamino)hexanoic acid
CID 87424914

Frequently Asked Questions

What is the IUPAC name of N'-(1-dimethoxysilylbutyl)butane-1,4-diamine?
The IUPAC name of N'-(1-dimethoxysilylbutyl)butane-1,4-diamine (CID 173372191) is N'-(1-dimethoxysilylbutyl)butane-1,4-diamine.
What is the SMILES notation for N'-(1-dimethoxysilylbutyl)butane-1,4-diamine?
The canonical SMILES for N'-(1-dimethoxysilylbutyl)butane-1,4-diamine is CCCC(NCCCCN)[SiH](OC)OC.
What is the InChIKey of N'-(1-dimethoxysilylbutyl)butane-1,4-diamine?
The InChIKey is QRUSAISMHXJZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N2O2Si/c1-4-7-10(15(13-2)14-3)12-9-6-5-8-11/h10,12,15H,4-9,11H2,1-3H3.
What are the key properties of N'-(1-dimethoxysilylbutyl)butane-1,4-diamine?
N'-(1-dimethoxysilylbutyl)butane-1,4-diamine has a molecular weight of 234.42 g/mol, XLogP of 0.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-dimethoxysilylbutyl)butane-1,4-diamine is sourced from PubChem (CID 173372191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).