[1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane

C18H35NSi — CID 140568873

IUPAC[1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane
SMILESC=C(C)C(/C1=N/CCCCCC1)[Si](C)(CCC)CCC
InChIInChI=1S/C18H35NSi/c1-6-14-20(5,15-7-2)18(16(3)4)17-12-10-8-9-11-13-19-17/h18H,3,6-15H2,1-2,4-5H3/b19-17+
InChIKeyFMHZYSLEIOYMGB-HTXNQAPBSA-N
MW293.57 g/mol
LogP6.24
Rot. Bonds7

About [1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane

[1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane (PubChem CID 140568873) has the molecular formula C18H35NSi and a molecular weight of 293.57 g/mol. Its IUPAC name is [1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane.

Molecular Properties

Compound Name[1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane
PubChem CID140568873
Molecular FormulaC18H35NSi
Molecular Weight293.57 g/mol
Exact Mass293.25
IUPAC Name[1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane
SMILESC=C(C)C(/C1=N/CCCCCC1)[Si](C)(CCC)CCC
InChIInChI=1S/C18H35NSi/c1-6-14-20(5,15-7-2)18(16(3)4)17-12-10-8-9-11-13-19-17/h18H,3,6-15H2,1-2,4-5H3/b19-17+
InChIKeyFMHZYSLEIOYMGB-HTXNQAPBSA-N
XLogP6.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.57
LogP ≤ 56.24
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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Frequently Asked Questions

What is the IUPAC name of [1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane?
The IUPAC name of [1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane (CID 140568873) is [1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane.
What is the SMILES notation for [1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane?
The canonical SMILES for [1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane is C=C(C)C(/C1=N/CCCCCC1)[Si](C)(CCC)CCC.
What is the InChIKey of [1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane?
The InChIKey is FMHZYSLEIOYMGB-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H35NSi/c1-6-14-20(5,15-7-2)18(16(3)4)17-12-10-8-9-11-13-19-17/h18H,3,6-15H2,1-2,4-5H3/b19-17+.
What are the key properties of [1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane?
[1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane has a molecular weight of 293.57 g/mol, XLogP of 6.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2-methylprop-2-enyl]-methyl-dipropylsilane is sourced from PubChem (CID 140568873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).