2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine

C12H16INO — CID 106169331

IUPAC2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
SMILESIc1ccc(CNCCC2=CCCC2)o1
InChIInChI=1S/C12H16INO/c13-12-6-5-11(15-12)9-14-8-7-10-3-1-2-4-10/h3,5-6,14H,1-2,4,7-9H2
InChIKeyZLAPOOPPPFCJGZ-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.47
Rot. Bonds5

About 2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine

2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine (PubChem CID 106169331) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
PubChem CID106169331
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC Name2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
SMILESIc1ccc(CNCCC2=CCCC2)o1
InChIInChI=1S/C12H16INO/c13-12-6-5-11(15-12)9-14-8-7-10-3-1-2-4-10/h3,5-6,14H,1-2,4,7-9H2
InChIKeyZLAPOOPPPFCJGZ-UHFFFAOYSA-N
XLogP3.47
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-N-[(4,5-dibromofuran-2-yl)methyl]ethanamine
CID 55032546
2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 17206949
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 17210309
2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine
CID 17210373
2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine;hydrochloride
CID 17210372
N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763223
2-(cyclopenten-1-yl)-N-(cyclopentylmethyl)ethanamine
CID 115908602
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine
CID 115762886
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
CID 103845316

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine (CID 106169331) is 2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine is Ic1ccc(CNCCC2=CCCC2)o1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine?
The InChIKey is ZLAPOOPPPFCJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c13-12-6-5-11(15-12)9-14-8-7-10-3-1-2-4-10/h3,5-6,14H,1-2,4,7-9H2.
What are the key properties of 2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine?
2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine has a molecular weight of 317.17 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 106169331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).