2-cyclopentyl-2-iodoethanamine

C7H14IN — CID 134195934

IUPAC2-cyclopentyl-2-iodoethanamine
SMILESNCC(I)C1CCCC1
InChIInChI=1S/C7H14IN/c8-7(5-9)6-3-1-2-4-6/h6-7H,1-5,9H2
InChIKeyJXWBILVUYQCQOC-UHFFFAOYSA-N
MW239.10 g/mol
LogP1.94
Rot. Bonds2

About 2-cyclopentyl-2-iodoethanamine

2-cyclopentyl-2-iodoethanamine (PubChem CID 134195934) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is 2-cyclopentyl-2-iodoethanamine.

Molecular Properties

Compound Name2-cyclopentyl-2-iodoethanamine
PubChem CID134195934
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC Name2-cyclopentyl-2-iodoethanamine
SMILESNCC(I)C1CCCC1
InChIInChI=1S/C7H14IN/c8-7(5-9)6-3-1-2-4-6/h6-7H,1-5,9H2
InChIKeyJXWBILVUYQCQOC-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-iodoethanamine?
The IUPAC name of 2-cyclopentyl-2-iodoethanamine (CID 134195934) is 2-cyclopentyl-2-iodoethanamine.
What is the SMILES notation for 2-cyclopentyl-2-iodoethanamine?
The canonical SMILES for 2-cyclopentyl-2-iodoethanamine is NCC(I)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-iodoethanamine?
The InChIKey is JXWBILVUYQCQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14IN/c8-7(5-9)6-3-1-2-4-6/h6-7H,1-5,9H2.
What are the key properties of 2-cyclopentyl-2-iodoethanamine?
2-cyclopentyl-2-iodoethanamine has a molecular weight of 239.10 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-iodoethanamine is sourced from PubChem (CID 134195934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).