5-pent-4-ynyl-5-azaspiro[3.4]octane

C12H19N — CID 130693751

IUPAC5-pent-4-ynyl-5-azaspiro[3.4]octane
SMILESC#CCCCN1CCCC12CCC2
InChIInChI=1S/C12H19N/c1-2-3-4-10-13-11-6-9-12(13)7-5-8-12/h1H,3-11H2
InChIKeyPNIQXXLGTDYIPD-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.42
Rot. Bonds3

About 5-pent-4-ynyl-5-azaspiro[3.4]octane

5-pent-4-ynyl-5-azaspiro[3.4]octane (PubChem CID 130693751) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 5-pent-4-ynyl-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name5-pent-4-ynyl-5-azaspiro[3.4]octane
PubChem CID130693751
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name5-pent-4-ynyl-5-azaspiro[3.4]octane
SMILESC#CCCCN1CCCC12CCC2
InChIInChI=1S/C12H19N/c1-2-3-4-10-13-11-6-9-12(13)7-5-8-12/h1H,3-11H2
InChIKeyPNIQXXLGTDYIPD-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-propyl-5-azaspiro[3.4]octane
CID 131103663
1-pent-4-ynylpyrrolidine
CID 82363312
3-(5-azaspiro[3.4]octan-5-yl)propanoic acid
CID 131038142
3-methoxy-3-methyl-1-pent-4-ynylpiperidine
CID 107394439
1-pent-4-ynylcyclobutane-1-carbaldehyde
CID 131231194
2-(4-azaspiro[2.4]heptan-4-yl)-N-methylethanamine
CID 134444048
5-(2,2-dimethylpropyl)-5-azaspiro[3.4]octane
CID 167459186
1-methyl-4-pent-4-ynylpiperazine
CID 23446116
2,2,5,5-tetramethyl-1-pent-4-ynyl-1,2,5-azadisilolidine
CID 159579754
11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane
CID 106222076
4-pent-4-ynyl-1,4-oxazepane
CID 115872934
4,4-dimethyl-1-pent-4-ynylpiperidin-2-one
CID 131115488

Frequently Asked Questions

What is the IUPAC name of 5-pent-4-ynyl-5-azaspiro[3.4]octane?
The IUPAC name of 5-pent-4-ynyl-5-azaspiro[3.4]octane (CID 130693751) is 5-pent-4-ynyl-5-azaspiro[3.4]octane.
What is the SMILES notation for 5-pent-4-ynyl-5-azaspiro[3.4]octane?
The canonical SMILES for 5-pent-4-ynyl-5-azaspiro[3.4]octane is C#CCCCN1CCCC12CCC2.
What is the InChIKey of 5-pent-4-ynyl-5-azaspiro[3.4]octane?
The InChIKey is PNIQXXLGTDYIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-3-4-10-13-11-6-9-12(13)7-5-8-12/h1H,3-11H2.
What are the key properties of 5-pent-4-ynyl-5-azaspiro[3.4]octane?
5-pent-4-ynyl-5-azaspiro[3.4]octane has a molecular weight of 177.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-4-ynyl-5-azaspiro[3.4]octane is sourced from PubChem (CID 130693751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).