6-ethynyl-2,6-diazaspiro[3.4]octane

C8H12N2 — CID 129180673

IUPAC6-ethynyl-2,6-diazaspiro[3.4]octane
SMILESC#CN1CCC2(CNC2)C1
InChIInChI=1S/C8H12N2/c1-2-10-4-3-8(7-10)5-9-6-8/h1,9H,3-7H2
InChIKeyYTFAWLCWDMKNRX-UHFFFAOYSA-N
MW136.20 g/mol
LogP-0.13
Rot. Bonds

About 6-ethynyl-2,6-diazaspiro[3.4]octane

6-ethynyl-2,6-diazaspiro[3.4]octane (PubChem CID 129180673) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 6-ethynyl-2,6-diazaspiro[3.4]octane.

Molecular Properties

Compound Name6-ethynyl-2,6-diazaspiro[3.4]octane
PubChem CID129180673
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name6-ethynyl-2,6-diazaspiro[3.4]octane
SMILESC#CN1CCC2(CNC2)C1
InChIInChI=1S/C8H12N2/c1-2-10-4-3-8(7-10)5-9-6-8/h1,9H,3-7H2
InChIKeyYTFAWLCWDMKNRX-UHFFFAOYSA-N
XLogP-0.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride
CID 122360940
1-ethynyl-4-methylpiperidin-4-ol
CID 143256733
7-methyl-2,7-diazaspiro[3.5]nonane;molecular hydrogen
CID 162530655
N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide
CID 137433121
2-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-enal
CID 176910983
7-methyl-2,7-diazaspiro[3.5]nonane;propane
CID 171103459
2-azaspiro[4.4]nonane-2-carbonitrile
CID 130516424
1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane
CID 176701757
ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane
CID 144923266
2-(2,7-diazaspiro[3.5]nonan-7-yl)ethanol
CID 168999634
CID 169105005
CID 169105005
spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile
CID 154618923

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-2,6-diazaspiro[3.4]octane?
The IUPAC name of 6-ethynyl-2,6-diazaspiro[3.4]octane (CID 129180673) is 6-ethynyl-2,6-diazaspiro[3.4]octane.
What is the SMILES notation for 6-ethynyl-2,6-diazaspiro[3.4]octane?
The canonical SMILES for 6-ethynyl-2,6-diazaspiro[3.4]octane is C#CN1CCC2(CNC2)C1.
What is the InChIKey of 6-ethynyl-2,6-diazaspiro[3.4]octane?
The InChIKey is YTFAWLCWDMKNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-10-4-3-8(7-10)5-9-6-8/h1,9H,3-7H2.
What are the key properties of 6-ethynyl-2,6-diazaspiro[3.4]octane?
6-ethynyl-2,6-diazaspiro[3.4]octane has a molecular weight of 136.20 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-2,6-diazaspiro[3.4]octane is sourced from PubChem (CID 129180673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).