N-[(5-iodofuran-2-yl)methyl]hexan-3-amine

C11H18INO — CID 62118557

IUPACN-[(5-iodofuran-2-yl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccc(I)o1
InChIInChI=1S/C11H18INO/c1-3-5-9(4-2)13-8-10-6-7-11(12)14-10/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyIWUICXVWBOBKPU-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.55
Rot. Bonds6

About N-[(5-iodofuran-2-yl)methyl]hexan-3-amine

N-[(5-iodofuran-2-yl)methyl]hexan-3-amine (PubChem CID 62118557) has the molecular formula C11H18INO and a molecular weight of 307.18 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]hexan-3-amine
PubChem CID62118557
Molecular FormulaC11H18INO
Molecular Weight307.18 g/mol
Exact Mass307.04
IUPAC NameN-[(5-iodofuran-2-yl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccc(I)o1
InChIInChI=1S/C11H18INO/c1-3-5-9(4-2)13-8-10-6-7-11(12)14-10/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyIWUICXVWBOBKPU-UHFFFAOYSA-N
XLogP3.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.55
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

N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine
CID 62347372
N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047799
2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine
CID 43767472
2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine
CID 43788951
3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol
CID 115710985
N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 54863117
5-[(octan-4-ylamino)methyl]furan-2-carbonitrile
CID 113250138
N-[(4-methylphenyl)methyl]hexan-3-amine
CID 62117408
N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 43766842
methyl (2S)-2-[(5-iodofuran-2-yl)methylamino]propanoate
CID 43786733
N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010727
5-[(hexan-3-ylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103248441

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]hexan-3-amine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]hexan-3-amine (CID 62118557) is N-[(5-iodofuran-2-yl)methyl]hexan-3-amine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]hexan-3-amine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]hexan-3-amine is CCCC(CC)NCc1ccc(I)o1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]hexan-3-amine?
The InChIKey is IWUICXVWBOBKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18INO/c1-3-5-9(4-2)13-8-10-6-7-11(12)14-10/h6-7,9,13H,3-5,8H2,1-2H3.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]hexan-3-amine?
N-[(5-iodofuran-2-yl)methyl]hexan-3-amine has a molecular weight of 307.18 g/mol, XLogP of 3.55, 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]hexan-3-amine is sourced from PubChem (CID 62118557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).