(1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine

C25H33NO2Si — CID 66573043

About (1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine

(1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine (PubChem CID 66573043) has the molecular formula C25H33NO2Si and a molecular weight of 407.63 g/mol. Its IUPAC name is (1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine.

Molecular Properties

• Compound Name: (1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine
• PubChem CID: 66573043
• Molecular Formula: C25H33NO2Si
• Molecular Weight: 407.63 g/mol
• Exact Mass: 407.23
• IUPAC Name: (1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine
• SMILES: CC1(C)OC[C@H]([C@@H](C#C[Si](C)(C)C)N(Cc2ccccc2)Cc2ccccc2)O1
• InChI: InChI=1S/C25H33NO2Si/c1-25(2)27-20-24(28-25)23(16-17-29(3,4)5)26(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,23-24H,18-20H2,1-5H3/t23-,24-/m1/s1
• InChIKey: AYTFKLHKJICDLW-DNQXCXABSA-N
• XLogP: 5.09
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.63
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine?

The IUPAC name of (1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine (CID 66573043) is (1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine.

What is the SMILES notation for (1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine?

The canonical SMILES for (1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine is CC1(C)OC[C@H]([C@@H](C#C[Si](C)(C)C)N(Cc2ccccc2)Cc2ccccc2)O1.

What is the InChIKey of (1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine?

The InChIKey is AYTFKLHKJICDLW-DNQXCXABSA-N. The full InChI is InChI=1S/C25H33NO2Si/c1-25(2)27-20-24(28-25)23(16-17-29(3,4)5)26(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,23-24H,18-20H2,1-5H3/t23-,24-/m1/s1.

What are the key properties of (1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine?

(1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine has a molecular weight of 407.63 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N,N-dibenzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-amine is sourced from PubChem (CID 66573043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).