N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

C13H21IN2O — CID 62992693

IUPACN-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1ccc(I)o1)CN1CCCC1
InChIInChI=1S/C13H21IN2O/c1-11(10-16-6-2-3-7-16)8-15-9-12-4-5-13(14)17-12/h4-5,11,15H,2-3,6-10H2,1H3
InChIKeyNNUYJKOSIWZNNF-UHFFFAOYSA-N
MW348.23 g/mol
LogP2.71
Rot. Bonds6

About N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 62992693) has the molecular formula C13H21IN2O and a molecular weight of 348.23 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID62992693
Molecular FormulaC13H21IN2O
Molecular Weight348.23 g/mol
Exact Mass348.07
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1ccc(I)o1)CN1CCCC1
InChIInChI=1S/C13H21IN2O/c1-11(10-16-6-2-3-7-16)8-15-9-12-4-5-13(14)17-12/h4-5,11,15H,2-3,6-10H2,1H3
InChIKeyNNUYJKOSIWZNNF-UHFFFAOYSA-N
XLogP2.71
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957579
5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile
CID 115652335
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957475
methyl 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carboxylate
CID 62994593
N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43767985
N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904166
3-(4-ethylpiperazin-1-yl)-2-methyl-N-[[5-(4-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 119122326
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
CID 119122334
2-[[(2-methyl-3-piperidin-1-ylpropyl)amino]methyl]thiophen-3-amine
CID 66387783
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
2-methyl-N-[(2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893415
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzonitrile
CID 60957478

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (CID 62992693) is N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is CC(CNCc1ccc(I)o1)CN1CCCC1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is NNUYJKOSIWZNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IN2O/c1-11(10-16-6-2-3-7-16)8-15-9-12-4-5-13(14)17-12/h4-5,11,15H,2-3,6-10H2,1H3.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 348.23 g/mol, XLogP of 2.71, 6 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-methyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 62992693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).