3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane

C14H21N3 — CID 59598933

IUPAC3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)C1CC2CCC(C1)N2c1cnccn1
InChIInChI=1S/C14H21N3/c1-10(2)11-7-12-3-4-13(8-11)17(12)14-9-15-5-6-16-14/h5-6,9-13H,3-4,7-8H2,1-2H3
InChIKeyYRXRBWXPSSITTI-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.88
Rot. Bonds2

About 3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane

3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 59598933) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID59598933
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)C1CC2CCC(C1)N2c1cnccn1
InChIInChI=1S/C14H21N3/c1-10(2)11-7-12-3-4-13(8-11)17(12)14-9-15-5-6-16-14/h5-6,9-13H,3-4,7-8H2,1-2H3
InChIKeyYRXRBWXPSSITTI-UHFFFAOYSA-N
XLogP2.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(Cyclohexylmethyl)-2-(2-pyrazinyl)-2,7-diazaspiro[4.5]decane
CID 70745389
8-Pyrazin-2-yl-8-azaspiro[4.5]decane
CID 84584354
2-(4-Methylpiperidin-1-yl)pyrazine
CID 57856373
2-(4-Cycloheptylpiperazin-1-yl)pyrazine
CID 75496810
1-Pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 84586030
2-(3-Fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine
CID 167364064
2-Fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 176552975
2-(2-Ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine
CID 164646878
8-(6-Fluoropyrazin-2-yl)-8-azabicyclo[3.2.1]octane
CID 164646891
2-(3-Fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane
CID 164648137
8-(3-Fluoropyrazin-2-yl)-8-azabicyclo[3.2.1]octane
CID 164648196
N,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine
CID 131642922

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane (CID 59598933) is 3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane is CC(C)C1CC2CCC(C1)N2c1cnccn1.
What is the InChIKey of 3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is YRXRBWXPSSITTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(2)11-7-12-3-4-13(8-11)17(12)14-9-15-5-6-16-14/h5-6,9-13H,3-4,7-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane?
3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 231.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-8-pyrazin-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 59598933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).