2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine

C10H18IN — CID 134444680

IUPAC2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine
SMILESCC(C)C(C)(N)C1=CCC(I)C1
InChIInChI=1S/C10H18IN/c1-7(2)10(3,12)8-4-5-9(11)6-8/h4,7,9H,5-6,12H2,1-3H3
InChIKeyJRFSYVFMRRCYTK-UHFFFAOYSA-N
MW279.17 g/mol
LogP2.88
Rot. Bonds2

About 2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine

2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine (PubChem CID 134444680) has the molecular formula C10H18IN and a molecular weight of 279.17 g/mol. Its IUPAC name is 2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine
PubChem CID134444680
Molecular FormulaC10H18IN
Molecular Weight279.17 g/mol
Exact Mass279.05
IUPAC Name2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine
SMILESCC(C)C(C)(N)C1=CCC(I)C1
InChIInChI=1S/C10H18IN/c1-7(2)10(3,12)8-4-5-9(11)6-8/h4,7,9H,5-6,12H2,1-3H3
InChIKeyJRFSYVFMRRCYTK-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 52.88
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine?
The IUPAC name of 2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine (CID 134444680) is 2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine.
What is the SMILES notation for 2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine?
The canonical SMILES for 2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine is CC(C)C(C)(N)C1=CCC(I)C1.
What is the InChIKey of 2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine?
The InChIKey is JRFSYVFMRRCYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18IN/c1-7(2)10(3,12)8-4-5-9(11)6-8/h4,7,9H,5-6,12H2,1-3H3.
What are the key properties of 2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine?
2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine has a molecular weight of 279.17 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodocyclopenten-1-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 134444680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).