7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane

C13H19N3 — CID 134406396

IUPAC7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane
SMILESc1cncc(CCN2CCNC3(CC3)C2)c1
InChIInChI=1S/C13H19N3/c1-2-12(10-14-6-1)3-8-16-9-7-15-13(11-16)4-5-13/h1-2,6,10,15H,3-5,7-9,11H2
InChIKeyWQOITRJIFBGFAO-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.06
Rot. Bonds3

About 7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane

7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane (PubChem CID 134406396) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane
PubChem CID134406396
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane
SMILESc1cncc(CCN2CCNC3(CC3)C2)c1
InChIInChI=1S/C13H19N3/c1-2-12(10-14-6-1)3-8-16-9-7-15-13(11-16)4-5-13/h1-2,6,10,15H,3-5,7-9,11H2
InChIKeyWQOITRJIFBGFAO-UHFFFAOYSA-N
XLogP1.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane
CID 64943019
9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
CID 64834067
10-(pyridin-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64871680
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3,3-dimethyl-1-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 120775808
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
[4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine
CID 114284152
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 64872357
10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 64949372
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862

Frequently Asked Questions

What is the IUPAC name of 7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane?
The IUPAC name of 7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane (CID 134406396) is 7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane is c1cncc(CCN2CCNC3(CC3)C2)c1.
What is the InChIKey of 7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane?
The InChIKey is WQOITRJIFBGFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-12(10-14-6-1)3-8-16-9-7-15-13(11-16)4-5-13/h1-2,6,10,15H,3-5,7-9,11H2.
What are the key properties of 7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane?
7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane has a molecular weight of 217.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 134406396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).