2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine

C17H20N2 — CID 159470050

IUPAC2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine
SMILESCC1(C)CCc2ccc(CCc3cnccn3)cc21
InChIInChI=1S/C17H20N2/c1-17(2)8-7-14-5-3-13(11-16(14)17)4-6-15-12-18-9-10-19-15/h3,5,9-12H,4,6-8H2,1-2H3
InChIKeyIZFQJTUXOZAIMI-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.49
Rot. Bonds3

About 2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine

2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine (PubChem CID 159470050) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine.

Molecular Properties

Compound Name2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine
PubChem CID159470050
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine
SMILESCC1(C)CCc2ccc(CCc3cnccn3)cc21
InChIInChI=1S/C17H20N2/c1-17(2)8-7-14-5-3-13(11-16(14)17)4-6-15-12-18-9-10-19-15/h3,5,9-12H,4,6-8H2,1-2H3
InChIKeyIZFQJTUXOZAIMI-UHFFFAOYSA-N
XLogP3.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methylphenyl)ethyl]pyrazine
CID 141390825
3-(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,2-dimethylpropanal
CID 129031612
5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one
CID 70749750
5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one
CID 70730500
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine
CID 122142133
3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole
CID 136572074
4-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)butan-2-amine
CID 167849866
2-[(1-fluorocyclohexyl)methyl]pyrazine
CID 170152058
2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
CID 23080910
2-(4-chlorobutyl)pyrazine
CID 54142215
6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 10537940
2-(2-methylsulfonylethyl)pyrazine
CID 102287651

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine?
The IUPAC name of 2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine (CID 159470050) is 2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine.
What is the SMILES notation for 2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine?
The canonical SMILES for 2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine is CC1(C)CCc2ccc(CCc3cnccn3)cc21.
What is the InChIKey of 2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine?
The InChIKey is IZFQJTUXOZAIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-17(2)8-7-14-5-3-13(11-16(14)17)4-6-15-12-18-9-10-19-15/h3,5,9-12H,4,6-8H2,1-2H3.
What are the key properties of 2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine?
2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine has a molecular weight of 252.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine is sourced from PubChem (CID 159470050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).