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

C22H42N2Si — CID 148644913

IUPACN-[butyl-methyl-(3-pyrrolidin-1-yl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silyl]-2-methylpropan-2-amine
SMILESCCCC[Si@](C)(NC(C)(C)C)C1CC(N2CCCC2)C2=C1CCCC2
InChIInChI=1S/C22H42N2Si/c1-6-7-16-25(5,23-22(2,3)4)21-17-20(24-14-10-11-15-24)18-12-8-9-13-19(18)21/h20-21,23H,6-17H2,1-5H3/t20?,21?,25-/m0/s1
InChIKeyNIIXGLPJUFMORU-BAWHURIHSA-N
MW362.68 g/mol
LogP5.86
Rot. Bonds6

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

N-[butyl-methyl-(3-pyrrolidin-1-yl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silyl]-2-methylpropan-2-amine (PubChem CID 148644913) has the molecular formula C22H42N2Si and a molecular weight of 362.68 g/mol. Its IUPAC name is N-[butyl-methyl-(3-pyrrolidin-1-yl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[butyl-methyl-(3-pyrrolidin-1-yl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silyl]-2-methylpropan-2-amine
PubChem CID148644913
Molecular FormulaC22H42N2Si
Molecular Weight362.68 g/mol
Exact Mass362.31
IUPAC NameN-[butyl-methyl-(3-pyrrolidin-1-yl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silyl]-2-methylpropan-2-amine
SMILESCCCC[Si@](C)(NC(C)(C)C)C1CC(N2CCCC2)C2=C1CCCC2
InChIInChI=1S/C22H42N2Si/c1-6-7-16-25(5,23-22(2,3)4)21-17-20(24-14-10-11-15-24)18-12-8-9-13-19(18)21/h20-21,23H,6-17H2,1-5H3/t20?,21?,25-/m0/s1
InChIKeyNIIXGLPJUFMORU-BAWHURIHSA-N
XLogP5.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.68
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-(3-pyrrolidin-1-yl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silyl]-2-methylpropan-2-amine?
The IUPAC name of N-[butyl-methyl-(3-pyrrolidin-1-yl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silyl]-2-methylpropan-2-amine (CID 148644913) is N-[butyl-methyl-(3-pyrrolidin-1-yl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[butyl-methyl-(3-pyrrolidin-1-yl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[butyl-methyl-(3-pyrrolidin-1-yl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silyl]-2-methylpropan-2-amine is CCCC[Si@](C)(NC(C)(C)C)C1CC(N2CCCC2)C2=C1CCCC2.
What is the InChIKey of N-[butyl-methyl-(3-pyrrolidin-1-yl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silyl]-2-methylpropan-2-amine?
The InChIKey is NIIXGLPJUFMORU-BAWHURIHSA-N. The full InChI is InChI=1S/C22H42N2Si/c1-6-7-16-25(5,23-22(2,3)4)21-17-20(24-14-10-11-15-24)18-12-8-9-13-19(18)21/h20-21,23H,6-17H2,1-5H3/t20?,21?,25-/m0/s1.
What are the key properties of N-[butyl-methyl-(3-pyrrolidin-1-yl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silyl]-2-methylpropan-2-amine?
N-[butyl-methyl-(3-pyrrolidin-1-yl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silyl]-2-methylpropan-2-amine has a molecular weight of 362.68 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl-methyl-(3-pyrrolidin-1-yl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silyl]-2-methylpropan-2-amine is sourced from PubChem (CID 148644913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).