N,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine

C26H33NSi — CID 176893859

IUPACN,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine
SMILESCc1ccc([Si](C)(C)C(C)CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C26H33NSi/c1-22-15-17-26(18-16-22)28(3,4)23(2)19-27(20-24-11-7-5-8-12-24)21-25-13-9-6-10-14-25/h5-18,23H,19-21H2,1-4H3
InChIKeyLFHGHYIBAGMAPE-UHFFFAOYSA-N
MW387.64 g/mol
LogP6.00
Rot. Bonds8

About N,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine

N,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine (PubChem CID 176893859) has the molecular formula C26H33NSi and a molecular weight of 387.64 g/mol. Its IUPAC name is N,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine
PubChem CID176893859
Molecular FormulaC26H33NSi
Molecular Weight387.64 g/mol
Exact Mass387.24
IUPAC NameN,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine
SMILESCc1ccc([Si](C)(C)C(C)CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C26H33NSi/c1-22-15-17-26(18-16-22)28(3,4)23(2)19-27(20-24-11-7-5-8-12-24)21-25-13-9-6-10-14-25/h5-18,23H,19-21H2,1-4H3
InChIKeyLFHGHYIBAGMAPE-UHFFFAOYSA-N
XLogP6.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.64
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine?
The IUPAC name of N,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine (CID 176893859) is N,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine.
What is the SMILES notation for N,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine?
The canonical SMILES for N,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine is Cc1ccc([Si](C)(C)C(C)CN(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine?
The InChIKey is LFHGHYIBAGMAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NSi/c1-22-15-17-26(18-16-22)28(3,4)23(2)19-27(20-24-11-7-5-8-12-24)21-25-13-9-6-10-14-25/h5-18,23H,19-21H2,1-4H3.
What are the key properties of N,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine?
N,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine has a molecular weight of 387.64 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[dimethyl-(4-methylphenyl)silyl]propan-1-amine is sourced from PubChem (CID 176893859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).