6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine

C23H35NOSi — CID 69444652

IUPAC6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine
SMILESCCCC[Si](OCCCC(N)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H35NOSi/c1-4-5-19-26(21-13-8-6-9-14-21,22-15-10-7-11-16-22)25-18-12-17-23(24)20(2)3/h6-11,13-16,20,23H,4-5,12,17-19,24H2,1-3H3
InChIKeyYUMXSQQJEVYXRX-UHFFFAOYSA-N
MW369.62 g/mol
LogP4.33
Rot. Bonds11

About 6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine

6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine (PubChem CID 69444652) has the molecular formula C23H35NOSi and a molecular weight of 369.62 g/mol. Its IUPAC name is 6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine
PubChem CID69444652
Molecular FormulaC23H35NOSi
Molecular Weight369.62 g/mol
Exact Mass369.25
IUPAC Name6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine
SMILESCCCC[Si](OCCCC(N)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H35NOSi/c1-4-5-19-26(21-13-8-6-9-14-21,22-15-10-7-11-16-22)25-18-12-17-23(24)20(2)3/h6-11,13-16,20,23H,4-5,12,17-19,24H2,1-3H3
InChIKeyYUMXSQQJEVYXRX-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 54.33
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 6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine?
The IUPAC name of 6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine (CID 69444652) is 6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine.
What is the SMILES notation for 6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine?
The canonical SMILES for 6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine is CCCC[Si](OCCCC(N)C(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine?
The InChIKey is YUMXSQQJEVYXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NOSi/c1-4-5-19-26(21-13-8-6-9-14-21,22-15-10-7-11-16-22)25-18-12-17-23(24)20(2)3/h6-11,13-16,20,23H,4-5,12,17-19,24H2,1-3H3.
What are the key properties of 6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine?
6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine has a molecular weight of 369.62 g/mol, XLogP of 4.33, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine is sourced from PubChem (CID 69444652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).