N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine

C23H31NSi — CID 68501499

IUPACN,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
SMILESCC(C)C(C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H31NSi/c1-20(2)23(16-17-25(3,4)5)24(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,20,23H,18-19H2,1-5H3
InChIKeyFGBIFJKRUIKLSP-UHFFFAOYSA-N
MW349.59 g/mol
LogP5.59
Rot. Bonds6

About N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine

N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine (PubChem CID 68501499) has the molecular formula C23H31NSi and a molecular weight of 349.59 g/mol. Its IUPAC name is N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine.

Molecular Properties

Compound NameN,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
PubChem CID68501499
Molecular FormulaC23H31NSi
Molecular Weight349.59 g/mol
Exact Mass349.22
IUPAC NameN,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
SMILESCC(C)C(C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H31NSi/c1-20(2)23(16-17-25(3,4)5)24(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,20,23H,18-19H2,1-5H3
InChIKeyFGBIFJKRUIKLSP-UHFFFAOYSA-N
XLogP5.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.59
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine?
The IUPAC name of N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine (CID 68501499) is N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine.
What is the SMILES notation for N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine?
The canonical SMILES for N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine is CC(C)C(C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine?
The InChIKey is FGBIFJKRUIKLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NSi/c1-20(2)23(16-17-25(3,4)5)24(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,20,23H,18-19H2,1-5H3.
What are the key properties of N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine?
N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine has a molecular weight of 349.59 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine is sourced from PubChem (CID 68501499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).