2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane

C15H33NO2Si — CID 173320072

IUPAC2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane
SMILESCCCCN1CCC2CCCCC2C1.CO[SiH2]OC
InChIInChI=1S/C13H25N.C2H8O2Si/c1-2-3-9-14-10-8-12-6-4-5-7-13(12)11-14;1-3-5-4-2/h12-13H,2-11H2,1H3;5H2,1-2H3
InChIKeyUVYIUERTFGFMQU-UHFFFAOYSA-N
MW287.52 g/mol
LogP2.58
Rot. Bonds5

About 2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane

2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane (PubChem CID 173320072) has the molecular formula C15H33NO2Si and a molecular weight of 287.52 g/mol. Its IUPAC name is 2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane.

Molecular Properties

Compound Name2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane
PubChem CID173320072
Molecular FormulaC15H33NO2Si
Molecular Weight287.52 g/mol
Exact Mass287.23
IUPAC Name2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane
SMILESCCCCN1CCC2CCCCC2C1.CO[SiH2]OC
InChIInChI=1S/C13H25N.C2H8O2Si/c1-2-3-9-14-10-8-12-6-4-5-7-13(12)11-14;1-3-5-4-2/h12-13H,2-11H2,1H3;5H2,1-2H3
InChIKeyUVYIUERTFGFMQU-UHFFFAOYSA-N
XLogP2.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.52
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane with MolForge

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Related Compounds

2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 67672486
2-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58878293
2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 123306364
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylbutan-1-amine
CID 60841189
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)hexan-3-one
CID 106801203
5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]pentan-2-one
CID 143073916
5-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)pentan-2-one
CID 143073847
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-butoxypropan-2-ol
CID 107263746
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 55089962
3-(2-adamantyl)-1-butylpyrrolidine
CID 3012264
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride
CID 130157372
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-amino-2-methylpentan-2-ol
CID 64818657

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane?
The IUPAC name of 2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane (CID 173320072) is 2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane.
What is the SMILES notation for 2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane?
The canonical SMILES for 2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane is CCCCN1CCC2CCCCC2C1.CO[SiH2]OC.
What is the InChIKey of 2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane?
The InChIKey is UVYIUERTFGFMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C2H8O2Si/c1-2-3-9-14-10-8-12-6-4-5-7-13(12)11-14;1-3-5-4-2/h12-13H,2-11H2,1H3;5H2,1-2H3.
What are the key properties of 2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane?
2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane has a molecular weight of 287.52 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane is sourced from PubChem (CID 173320072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).