N-ethyl-1-(4-iodophenyl)cyclobutan-1-amine

C12H16IN — CID 69398615

IUPACN-ethyl-1-(4-iodophenyl)cyclobutan-1-amine
SMILESCCNC1(c2ccc(I)cc2)CCC1
InChIInChI=1S/C12H16IN/c1-2-14-12(8-3-9-12)10-4-6-11(13)7-5-10/h4-7,14H,2-3,8-9H2,1H3
InChIKeyLGQPEKHEFDPDDC-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.28
Rot. Bonds3

About N-ethyl-1-(4-iodophenyl)cyclobutan-1-amine

N-ethyl-1-(4-iodophenyl)cyclobutan-1-amine (PubChem CID 69398615) has the molecular formula C12H16IN and a molecular weight of 301.17 g/mol. Its IUPAC name is N-ethyl-1-(4-iodophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-iodophenyl)cyclobutan-1-amine
PubChem CID69398615
Molecular FormulaC12H16IN
Molecular Weight301.17 g/mol
Exact Mass301.03
IUPAC NameN-ethyl-1-(4-iodophenyl)cyclobutan-1-amine
SMILESCCNC1(c2ccc(I)cc2)CCC1
InChIInChI=1S/C12H16IN/c1-2-14-12(8-3-9-12)10-4-6-11(13)7-5-10/h4-7,14H,2-3,8-9H2,1H3
InChIKeyLGQPEKHEFDPDDC-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
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 N-ethyl-1-(4-iodophenyl)cyclobutan-1-amine?
The IUPAC name of N-ethyl-1-(4-iodophenyl)cyclobutan-1-amine (CID 69398615) is N-ethyl-1-(4-iodophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-iodophenyl)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-1-(4-iodophenyl)cyclobutan-1-amine is CCNC1(c2ccc(I)cc2)CCC1.
What is the InChIKey of N-ethyl-1-(4-iodophenyl)cyclobutan-1-amine?
The InChIKey is LGQPEKHEFDPDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN/c1-2-14-12(8-3-9-12)10-4-6-11(13)7-5-10/h4-7,14H,2-3,8-9H2,1H3.
What are the key properties of N-ethyl-1-(4-iodophenyl)cyclobutan-1-amine?
N-ethyl-1-(4-iodophenyl)cyclobutan-1-amine has a molecular weight of 301.17 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-iodophenyl)cyclobutan-1-amine is sourced from PubChem (CID 69398615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).