4-[butyl(dimethoxy)silyl]hexan-1-amine

C12H29NO2Si — CID 88812976

IUPAC4-[butyl(dimethoxy)silyl]hexan-1-amine
SMILESCCCC[Si](OC)(OC)C(CC)CCCN
InChIInChI=1S/C12H29NO2Si/c1-5-7-11-16(14-3,15-4)12(6-2)9-8-10-13/h12H,5-11,13H2,1-4H3
InChIKeyXXLURMOXAHYLAB-UHFFFAOYSA-N
MW247.45 g/mol
LogP3.04
Rot. Bonds10

About 4-[butyl(dimethoxy)silyl]hexan-1-amine

4-[butyl(dimethoxy)silyl]hexan-1-amine (PubChem CID 88812976) has the molecular formula C12H29NO2Si and a molecular weight of 247.45 g/mol. Its IUPAC name is 4-[butyl(dimethoxy)silyl]hexan-1-amine.

Molecular Properties

Compound Name4-[butyl(dimethoxy)silyl]hexan-1-amine
PubChem CID88812976
Molecular FormulaC12H29NO2Si
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC Name4-[butyl(dimethoxy)silyl]hexan-1-amine
SMILESCCCC[Si](OC)(OC)C(CC)CCCN
InChIInChI=1S/C12H29NO2Si/c1-5-7-11-16(14-3,15-4)12(6-2)9-8-10-13/h12H,5-11,13H2,1-4H3
InChIKeyXXLURMOXAHYLAB-UHFFFAOYSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[butyl(dipropoxy)silyl]pentan-1-amine
CID 88812128
4-[butyl(dimethoxy)silyl]butan-1-amine
CID 88813037
3-trimethoxysilyltetradecan-1-amine
CID 22997270
3-[dimethoxy(pentyl)silyl]butan-2-yl-dimethoxy-pentylsilane
CID 141219255
3-[methoxy(dimethyl)silyl]pentan-1-amine
CID 174756511
CID 159237160
CID 159237160
butan-1-amine;trimethoxysilane
CID 172840853
butan-2-yl-butyl-(2,2-dimethylpropoxy)-methoxysilane
CID 172844126
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
CID 155609338
3-aminopropyl(tributyl)phosphanium;hydrobromide
CID 175805466
CID 87823121
CID 87823121
di(butan-2-yloxy)-butyl-methoxysilane
CID 71349639

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(dimethoxy)silyl]hexan-1-amine?
The IUPAC name of 4-[butyl(dimethoxy)silyl]hexan-1-amine (CID 88812976) is 4-[butyl(dimethoxy)silyl]hexan-1-amine.
What is the SMILES notation for 4-[butyl(dimethoxy)silyl]hexan-1-amine?
The canonical SMILES for 4-[butyl(dimethoxy)silyl]hexan-1-amine is CCCC[Si](OC)(OC)C(CC)CCCN.
What is the InChIKey of 4-[butyl(dimethoxy)silyl]hexan-1-amine?
The InChIKey is XXLURMOXAHYLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO2Si/c1-5-7-11-16(14-3,15-4)12(6-2)9-8-10-13/h12H,5-11,13H2,1-4H3.
What are the key properties of 4-[butyl(dimethoxy)silyl]hexan-1-amine?
4-[butyl(dimethoxy)silyl]hexan-1-amine has a molecular weight of 247.45 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(dimethoxy)silyl]hexan-1-amine is sourced from PubChem (CID 88812976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).