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

C23H35NOSi — CID 59759757

IUPAC6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine
SMILESCC(C)C(N)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H35NOSi/c1-19(2)22(24)17-12-18-25-26(23(3,4)5,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22H,12,17-18,24H2,1-5H3
InChIKeyWSDVOJJDTHIHSP-UHFFFAOYSA-N
MW369.63 g/mol
LogP4.33
Rot. Bonds8

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

6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine (PubChem CID 59759757) has the molecular formula C23H35NOSi and a molecular weight of 369.63 g/mol. Its IUPAC name is 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine
PubChem CID59759757
Molecular FormulaC23H35NOSi
Molecular Weight369.63 g/mol
Exact Mass369.25
IUPAC Name6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine
SMILESCC(C)C(N)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H35NOSi/c1-19(2)22(24)17-12-18-25-26(23(3,4)5,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22H,12,17-18,24H2,1-5H3
InChIKeyWSDVOJJDTHIHSP-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.63
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'}

Analyze 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine?
The IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine (CID 59759757) is 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine.
What is the SMILES notation for 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine?
The canonical SMILES for 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine is CC(C)C(N)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine?
The InChIKey is WSDVOJJDTHIHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NOSi/c1-19(2)22(24)17-12-18-25-26(23(3,4)5,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22H,12,17-18,24H2,1-5H3.
What are the key properties of 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine?
6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine has a molecular weight of 369.63 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-amine is sourced from PubChem (CID 59759757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).