N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine

C24H29N3OS — CID 23585160

About N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine

N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine (PubChem CID 23585160) has the molecular formula C24H29N3OS and a molecular weight of 407.58 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine
• PubChem CID: 23585160
• Molecular Formula: C24H29N3OS
• Molecular Weight: 407.58 g/mol
• Exact Mass: 407.20
• IUPAC Name: N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine
• SMILES: Cc1cccc(-c2noc(/C=C/C3CCC(C(c4cccs4)N(C)C)CC3)n2)c1
• InChI: InChI=1S/C24H29N3OS/c1-17-6-4-7-20(16-17)24-25-22(28-26-24)14-11-18-9-12-19(13-10-18)23(27(2)3)21-8-5-15-29-21/h4-8,11,14-16,18-19,23H,9-10,12-13H2,1-3H3/b14-11+
• InChIKey: KYFYVHKXEOBFCX-SDNWHVSQSA-N
• XLogP: 6.23
• TPSA: 42.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.58
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine?

The IUPAC name of N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine (CID 23585160) is N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine.

What is the SMILES notation for N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine?

The canonical SMILES for N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine is Cc1cccc(-c2noc(/C=C/C3CCC(C(c4cccs4)N(C)C)CC3)n2)c1.

What is the InChIKey of N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine?

The InChIKey is KYFYVHKXEOBFCX-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H29N3OS/c1-17-6-4-7-20(16-17)24-25-22(28-26-24)14-11-18-9-12-19(13-10-18)23(27(2)3)21-8-5-15-29-21/h4-8,11,14-16,18-19,23H,9-10,12-13H2,1-3H3/b14-11+.

What are the key properties of N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine?

N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine has a molecular weight of 407.58 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 23585160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).