1-butylpyrrolidine;diethoxysilane

C12H29NO2Si — CID 173014045

IUPAC1-butylpyrrolidine;diethoxysilane
SMILESCCCCN1CCCC1.CCO[SiH2]OCC
InChIInChI=1S/C8H17N.C4H12O2Si/c1-2-3-6-9-7-4-5-8-9;1-3-5-7-6-4-2/h2-8H2,1H3;3-4,7H2,1-2H3
InChIKeyDRBYLJNPZFEADU-UHFFFAOYSA-N
MW247.45 g/mol
LogP1.94
Rot. Bonds7

About 1-butylpyrrolidine;diethoxysilane

1-butylpyrrolidine;diethoxysilane (PubChem CID 173014045) has the molecular formula C12H29NO2Si and a molecular weight of 247.45 g/mol. Its IUPAC name is 1-butylpyrrolidine;diethoxysilane.

Molecular Properties

Compound Name1-butylpyrrolidine;diethoxysilane
PubChem CID173014045
Molecular FormulaC12H29NO2Si
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC Name1-butylpyrrolidine;diethoxysilane
SMILESCCCCN1CCCC1.CCO[SiH2]OCC
InChIInChI=1S/C8H17N.C4H12O2Si/c1-2-3-6-9-7-4-5-8-9;1-3-5-7-6-4-2/h2-8H2,1H3;3-4,7H2,1-2H3
InChIKeyDRBYLJNPZFEADU-UHFFFAOYSA-N
XLogP1.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butylazetidine;ethane
CID 143628082
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
diethoxysilane;1-methylaziridine
CID 173126406
1-butylpyrrolidine;1,4-dioxane
CID 159502773
1-butylazetidine;triethoxysilane
CID 173012120
1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144
ethane;1-nonylpiperidine
CID 177011009
1-heptylazetidine
CID 134402356

Frequently Asked Questions

What is the IUPAC name of 1-butylpyrrolidine;diethoxysilane?
The IUPAC name of 1-butylpyrrolidine;diethoxysilane (CID 173014045) is 1-butylpyrrolidine;diethoxysilane.
What is the SMILES notation for 1-butylpyrrolidine;diethoxysilane?
The canonical SMILES for 1-butylpyrrolidine;diethoxysilane is CCCCN1CCCC1.CCO[SiH2]OCC.
What is the InChIKey of 1-butylpyrrolidine;diethoxysilane?
The InChIKey is DRBYLJNPZFEADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C4H12O2Si/c1-2-3-6-9-7-4-5-8-9;1-3-5-7-6-4-2/h2-8H2,1H3;3-4,7H2,1-2H3.
What are the key properties of 1-butylpyrrolidine;diethoxysilane?
1-butylpyrrolidine;diethoxysilane has a molecular weight of 247.45 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyrrolidine;diethoxysilane is sourced from PubChem (CID 173014045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).