tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane

C18H31NOSi — CID 152675325

IUPACtert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCN1CCc2ccccc2C1
InChIInChI=1S/C18H31NOSi/c1-18(2,3)21(4,5)20-14-8-12-19-13-11-16-9-6-7-10-17(16)15-19/h6-7,9-10H,8,11-15H2,1-5H3
InChIKeyZMKAWEUBQAODFG-UHFFFAOYSA-N
MW305.54 g/mol
LogP4.46
Rot. Bonds5

About tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane

tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane (PubChem CID 152675325) has the molecular formula C18H31NOSi and a molecular weight of 305.54 g/mol. Its IUPAC name is tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane
PubChem CID152675325
Molecular FormulaC18H31NOSi
Molecular Weight305.54 g/mol
Exact Mass305.22
IUPAC Nametert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCN1CCc2ccccc2C1
InChIInChI=1S/C18H31NOSi/c1-18(2,3)21(4,5)20-14-8-12-19-13-11-16-9-6-7-10-17(16)15-19/h6-7,9-10H,8,11-15H2,1-5H3
InChIKeyZMKAWEUBQAODFG-UHFFFAOYSA-N
XLogP4.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy-hexadecyl-dimethylsilane
CID 139239094
2-(2-decoxyethyl)-3,4-dihydro-1H-isoquinoline
CID 133083999
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylhexanoic acid
CID 106713887
2-[3-(2,2,3,3,4,4,4-heptafluorobutoxy)propyl]-3,4-dihydro-1H-isoquinoline
CID 90718439
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine
CID 39244545
3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione
CID 58719562
tert-butyl N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]carbamate
CID 110456704
2-(6-chlorohexyl)-3,4-dihydro-1H-isoquinoline
CID 62227824
4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-amine;hydrochloride
CID 68962885

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane (CID 152675325) is tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCN1CCc2ccccc2C1.
What is the InChIKey of tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane?
The InChIKey is ZMKAWEUBQAODFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NOSi/c1-18(2,3)21(4,5)20-14-8-12-19-13-11-16-9-6-7-10-17(16)15-19/h6-7,9-10H,8,11-15H2,1-5H3.
What are the key properties of tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane?
tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane has a molecular weight of 305.54 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane is sourced from PubChem (CID 152675325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).