N-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine

C19H23N3 — CID 53320177

IUPACN-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine
SMILESCCN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1
InChIInChI=1S/C19H23N3/c1-3-22(2)11-8-16-12-15-6-4-5-7-18(15)19(16)13-17-14-20-9-10-21-17/h4-7,9-10,14H,3,8,11-13H2,1-2H3
InChIKeySZKXEXNSYILRKM-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.37
Rot. Bonds6

About N-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine

N-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine (PubChem CID 53320177) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine
PubChem CID53320177
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine
SMILESCCN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1
InChIInChI=1S/C19H23N3/c1-3-22(2)11-8-16-12-15-6-4-5-7-18(15)19(16)13-17-14-20-9-10-21-17/h4-7,9-10,14H,3,8,11-13H2,1-2H3
InChIKeySZKXEXNSYILRKM-UHFFFAOYSA-N
XLogP3.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
The IUPAC name of N-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine (CID 53320177) is N-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine is CCN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1.
What is the InChIKey of N-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
The InChIKey is SZKXEXNSYILRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-3-22(2)11-8-16-12-15-6-4-5-7-18(15)19(16)13-17-14-20-9-10-21-17/h4-7,9-10,14H,3,8,11-13H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
N-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 53320177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).