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

C15H20INO — CID 43756966

IUPACN-[(5-iodofuran-2-yl)methyl]adamantan-1-amine
SMILESIc1ccc(CNC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C15H20INO/c16-14-2-1-13(18-14)9-17-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12,17H,3-9H2
InChIKeyARIMVBPIXDIMJP-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.94
Rot. Bonds3

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

N-[(5-iodofuran-2-yl)methyl]adamantan-1-amine (PubChem CID 43756966) has the molecular formula C15H20INO and a molecular weight of 357.24 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]adamantan-1-amine
PubChem CID43756966
Molecular FormulaC15H20INO
Molecular Weight357.24 g/mol
Exact Mass357.06
IUPAC NameN-[(5-iodofuran-2-yl)methyl]adamantan-1-amine
SMILESIc1ccc(CNC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C15H20INO/c16-14-2-1-13(18-14)9-17-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12,17H,3-9H2
InChIKeyARIMVBPIXDIMJP-UHFFFAOYSA-N
XLogP3.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]adamantan-1-amine (CID 43756966) is N-[(5-iodofuran-2-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]adamantan-1-amine is Ic1ccc(CNC23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]adamantan-1-amine?
The InChIKey is ARIMVBPIXDIMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO/c16-14-2-1-13(18-14)9-17-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12,17H,3-9H2.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]adamantan-1-amine?
N-[(5-iodofuran-2-yl)methyl]adamantan-1-amine has a molecular weight of 357.24 g/mol, XLogP of 3.94, 3 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]adamantan-1-amine is sourced from PubChem (CID 43756966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).