6-butylazasilocane

C10H23NSi — CID 150333938

IUPAC6-butylazasilocane
SMILESCCCCC1CCC[SiH2]NCC1
InChIInChI=1S/C10H23NSi/c1-2-3-5-10-6-4-9-12-11-8-7-10/h10-11H,2-9,12H2,1H3
InChIKeyGQGPSITWLCLNOJ-UHFFFAOYSA-N
MW185.39 g/mol
LogP2.07
Rot. Bonds3

About 6-butylazasilocane

6-butylazasilocane (PubChem CID 150333938) has the molecular formula C10H23NSi and a molecular weight of 185.39 g/mol. Its IUPAC name is 6-butylazasilocane.

Molecular Properties

Compound Name6-butylazasilocane
PubChem CID150333938
Molecular FormulaC10H23NSi
Molecular Weight185.39 g/mol
Exact Mass185.16
IUPAC Name6-butylazasilocane
SMILESCCCCC1CCC[SiH2]NCC1
InChIInChI=1S/C10H23NSi/c1-2-3-5-10-6-4-9-12-11-8-7-10/h10-11H,2-9,12H2,1H3
InChIKeyGQGPSITWLCLNOJ-UHFFFAOYSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-butylpiperidine;formonitrile
CID 142168007
butylcyclohexane;pyrrolidine
CID 145242408
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
4-pentylazecane
CID 166829392
4-hexadecylpiperidine
CID 54096875
4-heptylpiperidine;methane
CID 144690559
4-butylpiperidine;isocyanic acid
CID 175010642
butylcyclohexane;N-methylmethanamine
CID 174941558
CID 171376493
CID 171376493
1-butyl-4-propylcyclononane
CID 123467552
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
1-butyl-4-methylcyclooctane
CID 123623113

Frequently Asked Questions

What is the IUPAC name of 6-butylazasilocane?
The IUPAC name of 6-butylazasilocane (CID 150333938) is 6-butylazasilocane.
What is the SMILES notation for 6-butylazasilocane?
The canonical SMILES for 6-butylazasilocane is CCCCC1CCC[SiH2]NCC1.
What is the InChIKey of 6-butylazasilocane?
The InChIKey is GQGPSITWLCLNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NSi/c1-2-3-5-10-6-4-9-12-11-8-7-10/h10-11H,2-9,12H2,1H3.
What are the key properties of 6-butylazasilocane?
6-butylazasilocane has a molecular weight of 185.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylazasilocane is sourced from PubChem (CID 150333938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).