azacycloundec-1-ylmethyl-but-2-enyl-diethylsilane

C19H39NSi — CID 77291152

IUPACazacycloundec-1-ylmethyl-but-2-enyl-diethylsilane
SMILESCC=CC[Si](CC)(CC)CN1CCCCCCCCCC1
InChIInChI=1S/C19H39NSi/c1-4-7-18-21(5-2,6-3)19-20-16-14-12-10-8-9-11-13-15-17-20/h4,7H,5-6,8-19H2,1-3H3
InChIKeyBQKZQIFPMIQDPG-UHFFFAOYSA-N
MW309.61 g/mol
LogP6.03
Rot. Bonds6

About azacycloundec-1-ylmethyl-but-2-enyl-diethylsilane

azacycloundec-1-ylmethyl-but-2-enyl-diethylsilane (PubChem CID 77291152) has the molecular formula C19H39NSi and a molecular weight of 309.61 g/mol. Its IUPAC name is azacycloundec-1-ylmethyl-but-2-enyl-diethylsilane.

Molecular Properties

Compound Nameazacycloundec-1-ylmethyl-but-2-enyl-diethylsilane
PubChem CID77291152
Molecular FormulaC19H39NSi
Molecular Weight309.61 g/mol
Exact Mass309.29
IUPAC Nameazacycloundec-1-ylmethyl-but-2-enyl-diethylsilane
SMILESCC=CC[Si](CC)(CC)CN1CCCCCCCCCC1
InChIInChI=1S/C19H39NSi/c1-4-7-18-21(5-2,6-3)19-20-16-14-12-10-8-9-11-13-15-17-20/h4,7H,5-6,8-19H2,1-3H3
InChIKeyBQKZQIFPMIQDPG-UHFFFAOYSA-N
XLogP6.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.61
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

but-2-enyl-diethyl-(piperidin-1-ylmethyl)silane
CID 77291505
but-2-enyl-diethyl-(2-pyrrolidin-1-ylethyl)silane
CID 67430937
but-2-enyl-diethyl-(3-piperidin-1-ylpropyl)silane
CID 67432524
[(E)-but-2-enyl]-dimethyl-(piperidin-1-ylmethyl)silane
CID 67433286
azonan-1-ylmethyl-diethyl-prop-1-enylsilane
CID 67433765
but-2-enyl-dimethyl-(2-pyrrolidin-1-ylethyl)silane
CID 67431435
diethyl-propyl-(3-pyrrolidin-1-ylprop-2-enyl)silane
CID 87398255
1-but-2-enylazetidine
CID 544280
ethenyl-dimethyl-(piperidin-1-ylmethyl)silane
CID 67432577
ethenyl-methyl-bis(piperidin-1-ylmethyl)silane
CID 158052989
azocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane
CID 67432937
azocan-1-ylmethyl-ethenyl-dipropylsilane
CID 67431796

Frequently Asked Questions

What is the IUPAC name of azacycloundec-1-ylmethyl-but-2-enyl-diethylsilane?
The IUPAC name of azacycloundec-1-ylmethyl-but-2-enyl-diethylsilane (CID 77291152) is azacycloundec-1-ylmethyl-but-2-enyl-diethylsilane.
What is the SMILES notation for azacycloundec-1-ylmethyl-but-2-enyl-diethylsilane?
The canonical SMILES for azacycloundec-1-ylmethyl-but-2-enyl-diethylsilane is CC=CC[Si](CC)(CC)CN1CCCCCCCCCC1.
What is the InChIKey of azacycloundec-1-ylmethyl-but-2-enyl-diethylsilane?
The InChIKey is BQKZQIFPMIQDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NSi/c1-4-7-18-21(5-2,6-3)19-20-16-14-12-10-8-9-11-13-15-17-20/h4,7H,5-6,8-19H2,1-3H3.
What are the key properties of azacycloundec-1-ylmethyl-but-2-enyl-diethylsilane?
azacycloundec-1-ylmethyl-but-2-enyl-diethylsilane has a molecular weight of 309.61 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azacycloundec-1-ylmethyl-but-2-enyl-diethylsilane is sourced from PubChem (CID 77291152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).