N-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine

C18H35NSi — CID 160555782

IUPACN-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine
SMILESCCCC[Si@](C)(NC(C)(C)C)C1CCC2=C1CCCC2
InChIInChI=1S/C18H35NSi/c1-6-7-14-20(5,19-18(2,3)4)17-13-12-15-10-8-9-11-16(15)17/h17,19H,6-14H2,1-5H3/t17?,20-/m0/s1
InChIKeyUCUTYNKEXXCCDM-OZBJMMHXSA-N
MW293.57 g/mol
LogP5.78
Rot. Bonds5

About N-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine

N-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine (PubChem CID 160555782) has the molecular formula C18H35NSi and a molecular weight of 293.57 g/mol. Its IUPAC name is N-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine
PubChem CID160555782
Molecular FormulaC18H35NSi
Molecular Weight293.57 g/mol
Exact Mass293.25
IUPAC NameN-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine
SMILESCCCC[Si@](C)(NC(C)(C)C)C1CCC2=C1CCCC2
InChIInChI=1S/C18H35NSi/c1-6-7-14-20(5,19-18(2,3)4)17-13-12-15-10-8-9-11-16(15)17/h17,19H,6-14H2,1-5H3/t17?,20-/m0/s1
InChIKeyUCUTYNKEXXCCDM-OZBJMMHXSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.57
LogP ≤ 55.78
H-Bond Donors ≤ 51
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 N-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine?
The IUPAC name of N-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine (CID 160555782) is N-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine is CCCC[Si@](C)(NC(C)(C)C)C1CCC2=C1CCCC2.
What is the InChIKey of N-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine?
The InChIKey is UCUTYNKEXXCCDM-OZBJMMHXSA-N. The full InChI is InChI=1S/C18H35NSi/c1-6-7-14-20(5,19-18(2,3)4)17-13-12-15-10-8-9-11-16(15)17/h17,19H,6-14H2,1-5H3/t17?,20-/m0/s1.
What are the key properties of N-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine?
N-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine has a molecular weight of 293.57 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine is sourced from PubChem (CID 160555782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).