1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine

C10H15NS — CID 61078130

IUPAC1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine
SMILESCC1CC1C(N)Cc1cccs1
InChIInChI=1S/C10H15NS/c1-7-5-9(7)10(11)6-8-3-2-4-12-8/h2-4,7,9-10H,5-6,11H2,1H3
InChIKeyQFGJJYICTCWCEY-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.27
Rot. Bonds3

About 1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine

1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine (PubChem CID 61078130) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine
PubChem CID61078130
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine
SMILESCC1CC1C(N)Cc1cccs1
InChIInChI=1S/C10H15NS/c1-7-5-9(7)10(11)6-8-3-2-4-12-8/h2-4,7,9-10H,5-6,11H2,1H3
InChIKeyQFGJJYICTCWCEY-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine (CID 61078130) is 1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine is CC1CC1C(N)Cc1cccs1.
What is the InChIKey of 1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine?
The InChIKey is QFGJJYICTCWCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-7-5-9(7)10(11)6-8-3-2-4-12-8/h2-4,7,9-10H,5-6,11H2,1H3.
What are the key properties of 1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine?
1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine has a molecular weight of 181.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 61078130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).