3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine

C17H41NO4Si2 — CID 154358148

IUPAC3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine
SMILESCCO[SiH](OCC)C(C)CCN(C)CCC(C)[SiH](OCC)OCC
InChIInChI=1S/C17H41NO4Si2/c1-8-19-23(20-9-2)16(5)12-14-18(7)15-13-17(6)24(21-10-3)22-11-4/h16-17,23-24H,8-15H2,1-7H3
InChIKeyUVWDURSDRDHMHC-UHFFFAOYSA-N
MW379.69 g/mol
LogP3.07
Rot. Bonds16

About 3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine

3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine (PubChem CID 154358148) has the molecular formula C17H41NO4Si2 and a molecular weight of 379.69 g/mol. Its IUPAC name is 3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine
PubChem CID154358148
Molecular FormulaC17H41NO4Si2
Molecular Weight379.69 g/mol
Exact Mass379.26
IUPAC Name3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine
SMILESCCO[SiH](OCC)C(C)CCN(C)CCC(C)[SiH](OCC)OCC
InChIInChI=1S/C17H41NO4Si2/c1-8-19-23(20-9-2)16(5)12-14-18(7)15-13-17(6)24(21-10-3)22-11-4/h16-17,23-24H,8-15H2,1-7H3
InChIKeyUVWDURSDRDHMHC-UHFFFAOYSA-N
XLogP3.07
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.69
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine
CID 172829871
N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine
CID 172714286
3-dipropoxysilyl-N-(3-dipropoxysilylpentyl)-N-methylpentan-1-amine
CID 154343921
N-(3-diethoxysilylbutyl)-5-methylhexan-3-imine
CID 150099790
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine
CID 63619021
1-diethoxysilyl-N-ethylbutan-1-amine
CID 173031845
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
4-diethoxysilylhexyl(methyl)carbamic acid
CID 173191134
5-[2-ethoxyethyl(methyl)amino]-3-methylpentane-1-thiol
CID 81063902
N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 167171519
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510

Frequently Asked Questions

What is the IUPAC name of 3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine?
The IUPAC name of 3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine (CID 154358148) is 3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine.
What is the SMILES notation for 3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine?
The canonical SMILES for 3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine is CCO[SiH](OCC)C(C)CCN(C)CCC(C)[SiH](OCC)OCC.
What is the InChIKey of 3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine?
The InChIKey is UVWDURSDRDHMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H41NO4Si2/c1-8-19-23(20-9-2)16(5)12-14-18(7)15-13-17(6)24(21-10-3)22-11-4/h16-17,23-24H,8-15H2,1-7H3.
What are the key properties of 3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine?
3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine has a molecular weight of 379.69 g/mol, XLogP of 3.07, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxysilyl-N-(3-diethoxysilylbutyl)-N-methylbutan-1-amine is sourced from PubChem (CID 154358148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).