1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine

C16H28N2Si — CID 103437599

IUPAC1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine
SMILESCN1CCC(CNCc2ccc([Si](C)(C)C)cc2)C1
InChIInChI=1S/C16H28N2Si/c1-18-10-9-15(13-18)12-17-11-14-5-7-16(8-6-14)19(2,3)4/h5-8,15,17H,9-13H2,1-4H3
InChIKeyXRNUZANYWJQIQI-UHFFFAOYSA-N
MW276.50 g/mol
LogP2.27
Rot. Bonds5

About 1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine

1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine (PubChem CID 103437599) has the molecular formula C16H28N2Si and a molecular weight of 276.50 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine
PubChem CID103437599
Molecular FormulaC16H28N2Si
Molecular Weight276.50 g/mol
Exact Mass276.20
IUPAC Name1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine
SMILESCN1CCC(CNCc2ccc([Si](C)(C)C)cc2)C1
InChIInChI=1S/C16H28N2Si/c1-18-10-9-15(13-18)12-17-11-14-5-7-16(8-6-14)19(2,3)4/h5-8,15,17H,9-13H2,1-4H3
InChIKeyXRNUZANYWJQIQI-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine (CID 103437599) is 1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine is CN1CCC(CNCc2ccc([Si](C)(C)C)cc2)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine?
The InChIKey is XRNUZANYWJQIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2Si/c1-18-10-9-15(13-18)12-17-11-14-5-7-16(8-6-14)19(2,3)4/h5-8,15,17H,9-13H2,1-4H3.
What are the key properties of 1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine?
1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine has a molecular weight of 276.50 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine is sourced from PubChem (CID 103437599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).