2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine

C14H21N3O — CID 105032228

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCOc1nccnc1C(N)CC1CC2CCC1C2
InChIInChI=1S/C14H21N3O/c1-18-14-13(16-4-5-17-14)12(15)8-11-7-9-2-3-10(11)6-9/h4-5,9-12H,2-3,6-8,15H2,1H3
InChIKeyJBYKLNQNIOUCKJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.31
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine (PubChem CID 105032228) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine
PubChem CID105032228
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCOc1nccnc1C(N)CC1CC2CCC1C2
InChIInChI=1S/C14H21N3O/c1-18-14-13(16-4-5-17-14)12(15)8-11-7-9-2-3-10(11)6-9/h4-5,9-12H,2-3,6-8,15H2,1H3
InChIKeyJBYKLNQNIOUCKJ-UHFFFAOYSA-N
XLogP2.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105032196
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine
CID 79561076
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 112727149
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755618
(3-methoxypyrazin-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
CID 114097391
2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105178630
2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine
CID 105167884
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43104194
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
4-[1-amino-2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,N-dimethylaniline
CID 105167951
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 105027565
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-2-amine
CID 79562664

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine (CID 105032228) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine is COc1nccnc1C(N)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine?
The InChIKey is JBYKLNQNIOUCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-18-14-13(16-4-5-17-14)12(15)8-11-7-9-2-3-10(11)6-9/h4-5,9-12H,2-3,6-8,15H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine is sourced from PubChem (CID 105032228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).