N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

C11H17IN2O — CID 43767985

IUPACN-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESIc1ccc(CNCCN2CCCC2)o1
InChIInChI=1S/C11H17IN2O/c12-11-4-3-10(15-11)9-13-5-8-14-6-1-2-7-14/h3-4,13H,1-2,5-9H2
InChIKeyRHPIADRDXUTHDP-UHFFFAOYSA-N
MW320.17 g/mol
LogP2.07
Rot. Bonds5

About N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 43767985) has the molecular formula C11H17IN2O and a molecular weight of 320.17 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID43767985
Molecular FormulaC11H17IN2O
Molecular Weight320.17 g/mol
Exact Mass320.04
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESIc1ccc(CNCCN2CCCC2)o1
InChIInChI=1S/C11H17IN2O/c12-11-4-3-10(15-11)9-13-5-8-14-6-1-2-7-14/h3-4,13H,1-2,5-9H2
InChIKeyRHPIADRDXUTHDP-UHFFFAOYSA-N
XLogP2.07
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62992693
2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 106169331
N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 103527237
1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine
CID 63897992
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66409144
N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654114
N-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427006
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6473098
2-(4-methylpiperidin-1-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 60957810
N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine
CID 43763160

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 43767985) is N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is Ic1ccc(CNCCN2CCCC2)o1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is RHPIADRDXUTHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O/c12-11-4-3-10(15-11)9-13-5-8-14-6-1-2-7-14/h3-4,13H,1-2,5-9H2.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 320.17 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 43767985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).