1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine

C11H14INS — CID 79693389

IUPAC1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
SMILESCNC(C1=CCCC1)c1csc(I)c1
InChIInChI=1S/C11H14INS/c1-13-11(8-4-2-3-5-8)9-6-10(12)14-7-9/h4,6-7,11,13H,2-3,5H2,1H3
InChIKeyWHWYIYIVBGEVHD-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.72
Rot. Bonds3

About 1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine

1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine (PubChem CID 79693389) has the molecular formula C11H14INS and a molecular weight of 319.21 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
PubChem CID79693389
Molecular FormulaC11H14INS
Molecular Weight319.21 g/mol
Exact Mass318.99
IUPAC Name1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
SMILESCNC(C1=CCCC1)c1csc(I)c1
InChIInChI=1S/C11H14INS/c1-13-11(8-4-2-3-5-8)9-6-10(12)14-7-9/h4,6-7,11,13H,2-3,5H2,1H3
InChIKeyWHWYIYIVBGEVHD-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine (CID 79693389) is 1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine is CNC(C1=CCCC1)c1csc(I)c1.
What is the InChIKey of 1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The InChIKey is WHWYIYIVBGEVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INS/c1-13-11(8-4-2-3-5-8)9-6-10(12)14-7-9/h4,6-7,11,13H,2-3,5H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine has a molecular weight of 319.21 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 79693389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).