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

C23H25N3S — CID 53322838

IUPACN-methyl-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESC[C@H](C1=C(CCN(C)Cc2cccs2)Cc2ccccc21)c1cnccn1
InChIInChI=1S/C23H25N3S/c1-17(22-15-24-10-11-25-22)23-19(14-18-6-3-4-8-21(18)23)9-12-26(2)16-20-7-5-13-27-20/h3-8,10-11,13,15,17H,9,12,14,16H2,1-2H3/t17-/m0/s1
InChIKeyVVGNEGYIOFKVTA-KRWDZBQOSA-N
MW375.54 g/mol
LogP5.17
Rot. Bonds7

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

N-methyl-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 53322838) has the molecular formula C23H25N3S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-methyl-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID53322838
Molecular FormulaC23H25N3S
Molecular Weight375.54 g/mol
Exact Mass375.18
IUPAC NameN-methyl-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESC[C@H](C1=C(CCN(C)Cc2cccs2)Cc2ccccc21)c1cnccn1
InChIInChI=1S/C23H25N3S/c1-17(22-15-24-10-11-25-22)23-19(14-18-6-3-4-8-21(18)23)9-12-26(2)16-20-7-5-13-27-20/h3-8,10-11,13,15,17H,9,12,14,16H2,1-2H3/t17-/m0/s1
InChIKeyVVGNEGYIOFKVTA-KRWDZBQOSA-N
XLogP5.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N-(thiophen-2-ylmethyl)ethanamine (CID 53322838) is N-methyl-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N-(thiophen-2-ylmethyl)ethanamine is C[C@H](C1=C(CCN(C)Cc2cccs2)Cc2ccccc21)c1cnccn1.
What is the InChIKey of N-methyl-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is VVGNEGYIOFKVTA-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25N3S/c1-17(22-15-24-10-11-25-22)23-19(14-18-6-3-4-8-21(18)23)9-12-26(2)16-20-7-5-13-27-20/h3-8,10-11,13,15,17H,9,12,14,16H2,1-2H3/t17-/m0/s1.
What are the key properties of N-methyl-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N-(thiophen-2-ylmethyl)ethanamine?
N-methyl-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 375.54 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 53322838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).