N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine

C₁₁H₁₇NS — CID 115697506

About N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine

N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine (PubChem CID 115697506) has the molecular formula C₁₁H₁₇NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine.

Molecular Properties

• Compound Name: N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine
• PubChem CID: 115697506
• Molecular Formula: C₁₁H₁₇NS
• Molecular Weight: 195.33 g/mol
• Exact Mass: 195.11
• IUPAC Name: N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine
• SMILES: Cc1cc(CNC2(C)CC2)c(C)s1
• InChI: InChI=1S/C11H17NS/c1-8-6-10(9(2)13-8)7-12-11(3)4-5-11/h6,12H,4-5,7H2,1-3H3
• InChIKey: DWRRFMDILYZSFK-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	195.33
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine?

The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine (CID 115697506) is N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine.

What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine?

The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine is Cc1cc(CNC2(C)CC2)c(C)s1.

What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine?

The InChIKey is DWRRFMDILYZSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8-6-10(9(2)13-8)7-12-11(3)4-5-11/h6,12H,4-5,7H2,1-3H3.

What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine?

N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine is sourced from PubChem (CID 115697506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115697506 — identifiers, structure, computed properties (public domain)

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