5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane

C12H20N2 — CID 107489730

IUPAC5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane
SMILESC1=C(CCN2CC3(CC3)C2)CCNC1
InChIInChI=1S/C12H20N2/c1-6-13-7-2-11(1)3-8-14-9-12(10-14)4-5-12/h1,13H,2-10H2
InChIKeyPRXQGVAQGOIAMJ-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.39
Rot. Bonds3

About 5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane

5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane (PubChem CID 107489730) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane.

Molecular Properties

Compound Name5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane
PubChem CID107489730
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane
SMILESC1=C(CCN2CC3(CC3)C2)CCNC1
InChIInChI=1S/C12H20N2/c1-6-13-7-2-11(1)3-8-14-9-12(10-14)4-5-12/h1,13H,2-10H2
InChIKeyPRXQGVAQGOIAMJ-UHFFFAOYSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane?
The IUPAC name of 5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane (CID 107489730) is 5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane.
What is the SMILES notation for 5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane?
The canonical SMILES for 5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane is C1=C(CCN2CC3(CC3)C2)CCNC1.
What is the InChIKey of 5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane?
The InChIKey is PRXQGVAQGOIAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-13-7-2-11(1)3-8-14-9-12(10-14)4-5-12/h1,13H,2-10H2.
What are the key properties of 5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane?
5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane has a molecular weight of 192.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane is sourced from PubChem (CID 107489730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).