2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane

C17H23NSi — CID 53387618

IUPAC2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CC1N(Cc2ccccc2)C12CCC2
InChIInChI=1S/C17H23NSi/c1-19(2,3)13-10-16-17(11-7-12-17)18(16)14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,11-12,14H2,1-3H3
InChIKeyPLXNKZXTQDUVNA-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.67
Rot. Bonds2

About 2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane

2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane (PubChem CID 53387618) has the molecular formula C17H23NSi and a molecular weight of 269.46 g/mol. Its IUPAC name is 2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane
PubChem CID53387618
Molecular FormulaC17H23NSi
Molecular Weight269.46 g/mol
Exact Mass269.16
IUPAC Name2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CC1N(Cc2ccccc2)C12CCC2
InChIInChI=1S/C17H23NSi/c1-19(2,3)13-10-16-17(11-7-12-17)18(16)14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,11-12,14H2,1-3H3
InChIKeyPLXNKZXTQDUVNA-UHFFFAOYSA-N
XLogP3.67
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2-ethynyl-1-azaspiro[2.4]heptane
CID 53387934
trimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane
CID 71483629
(5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane
CID 102412356
(1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane
CID 101036609
1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one
CID 15486534
2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane
CID 102161279
5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine
CID 83850274
1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79506239
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
6-benzyl-6-azaspiro[4.5]decan-4-amine
CID 82664902
1-benzyl-4,4-diethoxy-2,3,4a,5,6,7,8,8a-octahydroquinoline
CID 66580403

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane (CID 53387618) is 2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#CC1N(Cc2ccccc2)C12CCC2.
What is the InChIKey of 2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane?
The InChIKey is PLXNKZXTQDUVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NSi/c1-19(2,3)13-10-16-17(11-7-12-17)18(16)14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,11-12,14H2,1-3H3.
What are the key properties of 2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane?
2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane has a molecular weight of 269.46 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 53387618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).