N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine

C13H22INO — CID 102904166

IUPACN-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1ccc(I)o1)C(C)C
InChIInChI=1S/C13H22INO/c1-9(2)12(10(3)4)8-15-7-11-5-6-13(14)16-11/h5-6,9-10,12,15H,7-8H2,1-4H3
InChIKeyGTEAYGRCJUWKFX-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.90
Rot. Bonds6

About N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine

N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102904166) has the molecular formula C13H22INO and a molecular weight of 335.23 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102904166
Molecular FormulaC13H22INO
Molecular Weight335.23 g/mol
Exact Mass335.07
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1ccc(I)o1)C(C)C
InChIInChI=1S/C13H22INO/c1-9(2)12(10(3)4)8-15-7-11-5-6-13(14)16-11/h5-6,9-10,12,15H,7-8H2,1-4H3
InChIKeyGTEAYGRCJUWKFX-UHFFFAOYSA-N
XLogP3.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(5-nitrofuran-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904590
N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62992693
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine
CID 43767472
N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 43758958
5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol
CID 106157788
N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047799
methyl (2S)-2-[(5-iodofuran-2-yl)methylamino]-3-methylbutanoate
CID 43776105
N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 54863117
3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 66169874
N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 43766842
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]-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine (CID 102904166) is N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(CNCc1ccc(I)o1)C(C)C.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is GTEAYGRCJUWKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22INO/c1-9(2)12(10(3)4)8-15-7-11-5-6-13(14)16-11/h5-6,9-10,12,15H,7-8H2,1-4H3.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 335.23 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).