2-ethynyl-6-azaspiro[2.5]octane

C9H13N — CID 121207548

IUPAC2-ethynyl-6-azaspiro[2.5]octane
SMILESC#CC1CC12CCNCC2
InChIInChI=1S/C9H13N/c1-2-8-7-9(8)3-5-10-6-4-9/h1,8,10H,3-7H2
InChIKeyAWIFVBBXYGSODS-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.01
Rot. Bonds

About 2-ethynyl-6-azaspiro[2.5]octane

2-ethynyl-6-azaspiro[2.5]octane (PubChem CID 121207548) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-ethynyl-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name2-ethynyl-6-azaspiro[2.5]octane
PubChem CID121207548
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-ethynyl-6-azaspiro[2.5]octane
SMILESC#CC1CC12CCNCC2
InChIInChI=1S/C9H13N/c1-2-8-7-9(8)3-5-10-6-4-9/h1,8,10H,3-7H2
InChIKeyAWIFVBBXYGSODS-UHFFFAOYSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethynylpiperidin-4-ol
CID 19895580
2-(trifluoromethyl)-6-azaspiro[2.5]octane
CID 105437897
6-azaspiro[2.5]octane-2-carboxylic acid
CID 51342230
2-methyl-5-azaspiro[2.4]heptane
CID 91206231
(2R)-2-(piperidin-1-ylmethyl)-6-azaspiro[2.5]octane
CID 95358767
7-azaspiro[3.5]nonan-3-ol;hydrochloride
CID 121209162
(2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride
CID 67879241
2-(2-methylpropyl)-6-azaspiro[2.5]octane
CID 115013358
N-ethyl-N-methyl-6-azaspiro[2.5]octan-2-amine
CID 131086396
6-azaspiro[2.5]octan-2-yl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116573069
3-ethynyl-1,1,2,2-tetrafluorocyclobutane
CID 154103516
1-(6-azaspiro[2.5]octan-2-yl)propan-2-amine
CID 84653194

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-6-azaspiro[2.5]octane?
The IUPAC name of 2-ethynyl-6-azaspiro[2.5]octane (CID 121207548) is 2-ethynyl-6-azaspiro[2.5]octane.
What is the SMILES notation for 2-ethynyl-6-azaspiro[2.5]octane?
The canonical SMILES for 2-ethynyl-6-azaspiro[2.5]octane is C#CC1CC12CCNCC2.
What is the InChIKey of 2-ethynyl-6-azaspiro[2.5]octane?
The InChIKey is AWIFVBBXYGSODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-8-7-9(8)3-5-10-6-4-9/h1,8,10H,3-7H2.
What are the key properties of 2-ethynyl-6-azaspiro[2.5]octane?
2-ethynyl-6-azaspiro[2.5]octane has a molecular weight of 135.21 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-6-azaspiro[2.5]octane is sourced from PubChem (CID 121207548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).