N-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine

C24H31N3O — CID 53326727

IUPACN-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine
SMILESC[C@H](C1=C(CCN(C)CC2CCOCC2)Cc2ccccc21)c1cnccn1
InChIInChI=1S/C24H31N3O/c1-18(23-16-25-10-11-26-23)24-21(15-20-5-3-4-6-22(20)24)7-12-27(2)17-19-8-13-28-14-9-19/h3-6,10-11,16,18-19H,7-9,12-15,17H2,1-2H3/t18-/m0/s1
InChIKeyHUPZZDHJGMFMTN-SFHVURJKSA-N
MW377.53 g/mol
LogP4.34
Rot. Bonds7

About N-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine

N-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine (PubChem CID 53326727) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine
PubChem CID53326727
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine
SMILESC[C@H](C1=C(CCN(C)CC2CCOCC2)Cc2ccccc21)c1cnccn1
InChIInChI=1S/C24H31N3O/c1-18(23-16-25-10-11-26-23)24-21(15-20-5-3-4-6-22(20)24)7-12-27(2)17-19-8-13-28-14-9-19/h3-6,10-11,16,18-19H,7-9,12-15,17H2,1-2H3/t18-/m0/s1
InChIKeyHUPZZDHJGMFMTN-SFHVURJKSA-N
XLogP4.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine (CID 53326727) is N-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine is C[C@H](C1=C(CCN(C)CC2CCOCC2)Cc2ccccc21)c1cnccn1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine?
The InChIKey is HUPZZDHJGMFMTN-SFHVURJKSA-N. The full InChI is InChI=1S/C24H31N3O/c1-18(23-16-25-10-11-26-23)24-21(15-20-5-3-4-6-22(20)24)7-12-27(2)17-19-8-13-28-14-9-19/h3-6,10-11,16,18-19H,7-9,12-15,17H2,1-2H3/t18-/m0/s1.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine?
N-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine has a molecular weight of 377.53 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 53326727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).