(E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine

C22H39NOSi — CID 11371881

IUPAC(E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine
SMILESCCCC[C@H](/C=C/[C@H](C)O[Si](C)(C)C(C)(C)C)NCc1ccccc1
InChIInChI=1S/C22H39NOSi/c1-8-9-15-21(23-18-20-13-11-10-12-14-20)17-16-19(2)24-25(6,7)22(3,4)5/h10-14,16-17,19,21,23H,8-9,15,18H2,1-7H3/b17-16+/t19-,21+/m0/s1
InChIKeyUQBLFIADLKQLBY-FJGQEFEISA-N
MW361.65 g/mol
LogP6.30
Rot. Bonds10

About (E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine

(E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine (PubChem CID 11371881) has the molecular formula C22H39NOSi and a molecular weight of 361.65 g/mol. Its IUPAC name is (E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine.

Molecular Properties

Compound Name(E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine
PubChem CID11371881
Molecular FormulaC22H39NOSi
Molecular Weight361.65 g/mol
Exact Mass361.28
IUPAC Name(E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine
SMILESCCCC[C@H](/C=C/[C@H](C)O[Si](C)(C)C(C)(C)C)NCc1ccccc1
InChIInChI=1S/C22H39NOSi/c1-8-9-15-21(23-18-20-13-11-10-12-14-20)17-16-19(2)24-25(6,7)22(3,4)5/h10-14,16-17,19,21,23H,8-9,15,18H2,1-7H3/b17-16+/t19-,21+/m0/s1
InChIKeyUQBLFIADLKQLBY-FJGQEFEISA-N
XLogP6.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.65
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-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 (E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine?
The IUPAC name of (E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine (CID 11371881) is (E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine.
What is the SMILES notation for (E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine?
The canonical SMILES for (E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine is CCCC[C@H](/C=C/[C@H](C)O[Si](C)(C)C(C)(C)C)NCc1ccccc1.
What is the InChIKey of (E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine?
The InChIKey is UQBLFIADLKQLBY-FJGQEFEISA-N. The full InChI is InChI=1S/C22H39NOSi/c1-8-9-15-21(23-18-20-13-11-10-12-14-20)17-16-19(2)24-25(6,7)22(3,4)5/h10-14,16-17,19,21,23H,8-9,15,18H2,1-7H3/b17-16+/t19-,21+/m0/s1.
What are the key properties of (E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine?
(E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine has a molecular weight of 361.65 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine is sourced from PubChem (CID 11371881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).