2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine

C13H22INO — CID 43767472

IUPAC2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)CNCc1ccc(I)o1
InChIInChI=1S/C13H22INO/c1-3-5-6-11(4-2)9-15-10-12-7-8-13(14)16-12/h7-8,11,15H,3-6,9-10H2,1-2H3
InChIKeySKBOSOVBIFYVOV-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.19
Rot. Bonds8

About 2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine

2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine (PubChem CID 43767472) has the molecular formula C13H22INO and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine
PubChem CID43767472
Molecular FormulaC13H22INO
Molecular Weight335.23 g/mol
Exact Mass335.07
IUPAC Name2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)CNCc1ccc(I)o1
InChIInChI=1S/C13H22INO/c1-3-5-6-11(4-2)9-15-10-12-7-8-13(14)16-12/h7-8,11,15H,3-6,9-10H2,1-2H3
InChIKeySKBOSOVBIFYVOV-UHFFFAOYSA-N
XLogP4.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.19
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

5-Methylfurtrethonium
CID 4141
2-Furanmethanaminium, N,N,N,5-tetramethyl-, iodide (1:1)
CID 70973
Furfurylamphetamine
CID 18116
N-Methylfurfurylamine
CID 78492
1-[(5-Methyl-2-furanyl)methyl]pyrrolidine
CID 529066
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
Benzyl(furan-2-ylmethyl)amine
CID 39338
N-Furfuryl-1-cyclohexanecarboxamide
CID 240161
N-[(5-methyl-2-furyl)methyl]ethanamine
CID 4777647
2-cyclohexyl-N-(furan-2-ylmethyl)acetamide
CID 806872
N-(cyclohexylmethyl)furan-2-carboxamide
CID 1245006
N-{2-[(furan-2-ylmethyl)amino]-2-oxoethyl}cyclohexanecarboxamide
CID 4690796

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine (CID 43767472) is 2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine is CCCCC(CC)CNCc1ccc(I)o1.
What is the InChIKey of 2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine?
The InChIKey is SKBOSOVBIFYVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22INO/c1-3-5-6-11(4-2)9-15-10-12-7-8-13(14)16-12/h7-8,11,15H,3-6,9-10H2,1-2H3.
What are the key properties of 2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine?
2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine has a molecular weight of 335.23 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(5-iodofuran-2-yl)methyl]hexan-1-amine is sourced from PubChem (CID 43767472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).