N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine

C13H16I3NO — CID 66358655

IUPACN-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine
SMILESCCCNC1CC(Oc2c(I)cc(I)cc2I)C1
InChIInChI=1S/C13H16I3NO/c1-2-3-17-9-6-10(7-9)18-13-11(15)4-8(14)5-12(13)16/h4-5,9-10,17H,2-3,6-7H2,1H3
InChIKeySIRGKPVTCSHADR-UHFFFAOYSA-N
MW582.99 g/mol
LogP4.41
Rot. Bonds5

About N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine

N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine (PubChem CID 66358655) has the molecular formula C13H16I3NO and a molecular weight of 582.99 g/mol. Its IUPAC name is N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine
PubChem CID66358655
Molecular FormulaC13H16I3NO
Molecular Weight582.99 g/mol
Exact Mass582.84
IUPAC NameN-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine
SMILESCCCNC1CC(Oc2c(I)cc(I)cc2I)C1
InChIInChI=1S/C13H16I3NO/c1-2-3-17-9-6-10(7-9)18-13-11(15)4-8(14)5-12(13)16/h4-5,9-10,17H,2-3,6-7H2,1H3
InChIKeySIRGKPVTCSHADR-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.99
LogP ≤ 54.41
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-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66359131
3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66358261
3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 107727232
3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66357508
3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66359158
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258
3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine
CID 66350890
3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine
CID 66359704
N-methyl-2-propoxy-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine
CID 107943502
3-(2-chloro-6-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 107719208
N-propyl-3-quinolin-5-yloxycyclobutan-1-amine
CID 103046094
3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 66351549

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine?
The IUPAC name of N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine (CID 66358655) is N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine.
What is the SMILES notation for N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine?
The canonical SMILES for N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine is CCCNC1CC(Oc2c(I)cc(I)cc2I)C1.
What is the InChIKey of N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine?
The InChIKey is SIRGKPVTCSHADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16I3NO/c1-2-3-17-9-6-10(7-9)18-13-11(15)4-8(14)5-12(13)16/h4-5,9-10,17H,2-3,6-7H2,1H3.
What are the key properties of N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine?
N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine has a molecular weight of 582.99 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66358655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).