(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine

C20H42N2O2Si — CID 134876655

About (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine

(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine (PubChem CID 134876655) has the molecular formula C20H42N2O2Si and a molecular weight of 370.65 g/mol. Its IUPAC name is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine.

Molecular Properties

• Compound Name: (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine
• PubChem CID: 134876655
• Molecular Formula: C20H42N2O2Si
• Molecular Weight: 370.65 g/mol
• Exact Mass: 370.30
• IUPAC Name: (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine
• SMILES: COC[C@@H]1CCCN1/N=C(/CC(O[Si](C)(C)C)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C20H42N2O2Si/c1-19(2,3)17(21-22-13-11-12-16(22)15-23-7)14-18(20(4,5)6)24-25(8,9)10/h16,18H,11-15H2,1-10H3/b21-17-/t16-,18?/m0/s1
• InChIKey: CTUMMUAFPLWJPL-KLPPQIECSA-N
• XLogP: 5.16
• TPSA: 34.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.65
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine?

The IUPAC name of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine (CID 134876655) is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine.

What is the SMILES notation for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine?

The canonical SMILES for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine is COC[C@@H]1CCCN1/N=C(/CC(O[Si](C)(C)C)C(C)(C)C)C(C)(C)C.

What is the InChIKey of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine?

The InChIKey is CTUMMUAFPLWJPL-KLPPQIECSA-N. The full InChI is InChI=1S/C20H42N2O2Si/c1-19(2,3)17(21-22-13-11-12-16(22)15-23-7)14-18(20(4,5)6)24-25(8,9)10/h16,18H,11-15H2,1-10H3/b21-17-/t16-,18?/m0/s1.

What are the key properties of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine?

(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine has a molecular weight of 370.65 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine is sourced from PubChem (CID 134876655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).