N,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine

C25H37NOSi — CID 135024512

IUPACN,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine
SMILESC=C(CCCO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H37NOSi/c1-22(14-13-19-27-28(5,6)25(2,3)4)26(20-23-15-9-7-10-16-23)21-24-17-11-8-12-18-24/h7-12,15-18H,1,13-14,19-21H2,2-6H3
InChIKeyQCQGPUQSUTWMEG-UHFFFAOYSA-N
MW395.66 g/mol
LogP7.00
Rot. Bonds10

About N,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine

N,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine (PubChem CID 135024512) has the molecular formula C25H37NOSi and a molecular weight of 395.66 g/mol. Its IUPAC name is N,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine.

Molecular Properties

Compound NameN,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine
PubChem CID135024512
Molecular FormulaC25H37NOSi
Molecular Weight395.66 g/mol
Exact Mass395.26
IUPAC NameN,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine
SMILESC=C(CCCO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H37NOSi/c1-22(14-13-19-27-28(5,6)25(2,3)4)26(20-23-15-9-7-10-16-23)21-24-17-11-8-12-18-24/h7-12,15-18H,1,13-14,19-21H2,2-6H3
InChIKeyQCQGPUQSUTWMEG-UHFFFAOYSA-N
XLogP7.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.66
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine?
The IUPAC name of N,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine (CID 135024512) is N,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine.
What is the SMILES notation for N,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine?
The canonical SMILES for N,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine is C=C(CCCO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine?
The InChIKey is QCQGPUQSUTWMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NOSi/c1-22(14-13-19-27-28(5,6)25(2,3)4)26(20-23-15-9-7-10-16-23)21-24-17-11-8-12-18-24/h7-12,15-18H,1,13-14,19-21H2,2-6H3.
What are the key properties of N,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine?
N,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine has a molecular weight of 395.66 g/mol, XLogP of 7.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-amine is sourced from PubChem (CID 135024512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).