1-(4-iodophenyl)cyclopentan-1-amine

C11H14IN — CID 117047029

IUPAC1-(4-iodophenyl)cyclopentan-1-amine
SMILESNC1(c2ccc(I)cc2)CCCC1
InChIInChI=1S/C11H14IN/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11/h3-6H,1-2,7-8,13H2
InChIKeyGSABBTXIQFWFBB-UHFFFAOYSA-N
MW287.14 g/mol
LogP3.02
Rot. Bonds1

About 1-(4-iodophenyl)cyclopentan-1-amine

1-(4-iodophenyl)cyclopentan-1-amine (PubChem CID 117047029) has the molecular formula C11H14IN and a molecular weight of 287.14 g/mol. Its IUPAC name is 1-(4-iodophenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)cyclopentan-1-amine
PubChem CID117047029
Molecular FormulaC11H14IN
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Name1-(4-iodophenyl)cyclopentan-1-amine
SMILESNC1(c2ccc(I)cc2)CCCC1
InChIInChI=1S/C11H14IN/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11/h3-6H,1-2,7-8,13H2
InChIKeyGSABBTXIQFWFBB-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)cyclopentan-1-amine?
The IUPAC name of 1-(4-iodophenyl)cyclopentan-1-amine (CID 117047029) is 1-(4-iodophenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-iodophenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-iodophenyl)cyclopentan-1-amine is NC1(c2ccc(I)cc2)CCCC1.
What is the InChIKey of 1-(4-iodophenyl)cyclopentan-1-amine?
The InChIKey is GSABBTXIQFWFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11/h3-6H,1-2,7-8,13H2.
What are the key properties of 1-(4-iodophenyl)cyclopentan-1-amine?
1-(4-iodophenyl)cyclopentan-1-amine has a molecular weight of 287.14 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)cyclopentan-1-amine is sourced from PubChem (CID 117047029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).