1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine

C23H35NOSi — CID 58870003

IUPAC1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine
SMILESCCCC(N)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H35NOSi/c1-5-13-20(24)14-12-19-25-26(23(2,3)4,21-15-8-6-9-16-21)22-17-10-7-11-18-22/h6-11,15-18,20H,5,12-14,19,24H2,1-4H3
InChIKeyWKXKLBLZFJCLLC-UHFFFAOYSA-N
MW369.63 g/mol
LogP4.47
Rot. Bonds9

About 1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine

1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine (PubChem CID 58870003) has the molecular formula C23H35NOSi and a molecular weight of 369.63 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine
PubChem CID58870003
Molecular FormulaC23H35NOSi
Molecular Weight369.63 g/mol
Exact Mass369.25
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine
SMILESCCCC(N)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H35NOSi/c1-5-13-20(24)14-12-19-25-26(23(2,3)4,21-15-8-6-9-16-21)22-17-10-7-11-18-22/h6-11,15-18,20H,5,12-14,19,24H2,1-4H3
InChIKeyWKXKLBLZFJCLLC-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.63
LogP ≤ 54.47
H-Bond Donors ≤ 51
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 1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine (CID 58870003) is 1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine is CCCC(N)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine?
The InChIKey is WKXKLBLZFJCLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NOSi/c1-5-13-20(24)14-12-19-25-26(23(2,3)4,21-15-8-6-9-16-21)22-17-10-7-11-18-22/h6-11,15-18,20H,5,12-14,19,24H2,1-4H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine?
1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine has a molecular weight of 369.63 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]oxyheptan-4-amine is sourced from PubChem (CID 58870003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).