9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine

C33H67N5O2Si3 — CID 132574870

IUPAC9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine
SMILESCCCCCCCCCCCCCCCNc1ncnc2c1ncn2CCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C33H67N5O2Si3/c1-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-32-31-33(36-29-35-32)38(30-37-31)27-24-21-22-25-28-42(5,6)40-43(7,8)39-41(2,3)4/h29-30H,9-28H2,1-8H3,(H,34,35,36)
InChIKeyKPFUBESLKNBNNS-UHFFFAOYSA-N
MW650.19 g/mol
LogP10.66
Rot. Bonds26

About 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine

9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine (PubChem CID 132574870) has the molecular formula C33H67N5O2Si3 and a molecular weight of 650.19 g/mol. Its IUPAC name is 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine.

Molecular Properties

Compound Name9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine
PubChem CID132574870
Molecular FormulaC33H67N5O2Si3
Molecular Weight650.19 g/mol
Exact Mass649.46
IUPAC Name9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine
SMILESCCCCCCCCCCCCCCCNc1ncnc2c1ncn2CCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C33H67N5O2Si3/c1-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-32-31-33(36-29-35-32)38(30-37-31)27-24-21-22-25-28-42(5,6)40-43(7,8)39-41(2,3)4/h29-30H,9-28H2,1-8H3,(H,34,35,36)
InChIKeyKPFUBESLKNBNNS-UHFFFAOYSA-N
XLogP10.66
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.19
LogP ≤ 510.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine with MolForge

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Related Compounds

tert-butyl N-[2-[[9-(4-aminobutyl)purin-6-yl]amino]ethyl]carbamate;tert-butyl N-[2-[(9-pentylpurin-6-yl)amino]ethyl]carbamate
CID 162004340
N-benzyl-9-heptylpurin-6-amine
CID 71371736
9-butyl-N-cyclopropylpurin-6-amine
CID 10799535
9-nonylpurin-6-amine
CID 3816519
9-tetradecyl-6-(1,2,4-triazol-1-yl)purine
CID 118709416
9-cyclopentyl-N-pentylpurin-6-amine
CID 142647479
9-decyl-6-pyrazol-1-ylpurine
CID 118709433
9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-N-heptylpurin-6-amine
CID 58855570
9-[2-(pentylamino)ethyl]purin-6-amine
CID 154003218
N'-(9-methylpurin-6-yl)propane-1,3-diamine
CID 83833396
9-(4-bromobutyl)-N-(furan-2-ylmethyl)purin-6-amine
CID 53237267
N-[2-(3,5-dimethylphenoxy)ethyl]-9-ethylpurin-6-amine
CID 165433963

Frequently Asked Questions

What is the IUPAC name of 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine?
The IUPAC name of 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine (CID 132574870) is 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine.
What is the SMILES notation for 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine?
The canonical SMILES for 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine is CCCCCCCCCCCCCCCNc1ncnc2c1ncn2CCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine?
The InChIKey is KPFUBESLKNBNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H67N5O2Si3/c1-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-32-31-33(36-29-35-32)38(30-37-31)27-24-21-22-25-28-42(5,6)40-43(7,8)39-41(2,3)4/h29-30H,9-28H2,1-8H3,(H,34,35,36).
What are the key properties of 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine?
9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine has a molecular weight of 650.19 g/mol, XLogP of 10.66, 26 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine is sourced from PubChem (CID 132574870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).