1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine

C14H20IN — CID 13083152

IUPAC1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine
SMILESCC(N(C)C)C1(c2ccc(I)cc2)CCC1
InChIInChI=1S/C14H20IN/c1-11(16(2)3)14(9-4-10-14)12-5-7-13(15)8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyJUNUTAYRWDGXFI-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.66
Rot. Bonds3

About 1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine

1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine (PubChem CID 13083152) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine
PubChem CID13083152
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC Name1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine
SMILESCC(N(C)C)C1(c2ccc(I)cc2)CCC1
InChIInChI=1S/C14H20IN/c1-11(16(2)3)14(9-4-10-14)12-5-7-13(15)8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyJUNUTAYRWDGXFI-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine?
The IUPAC name of 1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine (CID 13083152) is 1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine is CC(N(C)C)C1(c2ccc(I)cc2)CCC1.
What is the InChIKey of 1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine?
The InChIKey is JUNUTAYRWDGXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-11(16(2)3)14(9-4-10-14)12-5-7-13(15)8-6-12/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine?
1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine has a molecular weight of 329.23 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-iodophenyl)cyclobutyl]-N,N-dimethylethanamine is sourced from PubChem (CID 13083152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).