N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine

C11H18INO2 — CID 65047799

IUPACN-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCc1ccc(I)o1)C(C)C
InChIInChI=1S/C11H18INO2/c1-8(2)10(7-14-3)13-6-9-4-5-11(12)15-9/h4-5,8,10,13H,6-7H2,1-3H3
InChIKeyPZQGHIZNLCWLCV-UHFFFAOYSA-N
MW323.17 g/mol
LogP2.64
Rot. Bonds6

About N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine

N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine (PubChem CID 65047799) has the molecular formula C11H18INO2 and a molecular weight of 323.17 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
PubChem CID65047799
Molecular FormulaC11H18INO2
Molecular Weight323.17 g/mol
Exact Mass323.04
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCc1ccc(I)o1)C(C)C
InChIInChI=1S/C11H18INO2/c1-8(2)10(7-14-3)13-6-9-4-5-11(12)15-9/h4-5,8,10,13H,6-7H2,1-3H3
InChIKeyPZQGHIZNLCWLCV-UHFFFAOYSA-N
XLogP2.64
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 52.64
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

5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115654952
methyl (2S)-2-[(5-iodofuran-2-yl)methylamino]-3-methylbutanoate
CID 43776105
methyl (2S)-2-[(5-iodofuran-2-yl)methylamino]propanoate
CID 43786733
N-[(5-iodofuran-2-yl)methyl]hexan-3-amine
CID 62118557
N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904166
N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 54863117
N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 43766842
N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010727
[5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol
CID 96569409
N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43771994
1-(3-bromophenyl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 43779045
N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine
CID 115710834

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine (CID 65047799) is N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine is COCC(NCc1ccc(I)o1)C(C)C.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
The InChIKey is PZQGHIZNLCWLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18INO2/c1-8(2)10(7-14-3)13-6-9-4-5-11(12)15-9/h4-5,8,10,13H,6-7H2,1-3H3.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine has a molecular weight of 323.17 g/mol, XLogP of 2.64, 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]-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 65047799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).