N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine

C15H20IN — CID 81017966

IUPACN-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESIc1ccc(CC2CCC2CNC2CC2)cc1
InChIInChI=1S/C15H20IN/c16-14-5-1-11(2-6-14)9-12-3-4-13(12)10-17-15-7-8-15/h1-2,5-6,12-13,15,17H,3-4,7-10H2
InChIKeyZSXZEPQJNYVRBT-UHFFFAOYSA-N
MW341.24 g/mol
LogP3.61
Rot. Bonds5

About N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine

N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine (PubChem CID 81017966) has the molecular formula C15H20IN and a molecular weight of 341.24 g/mol. Its IUPAC name is N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
PubChem CID81017966
Molecular FormulaC15H20IN
Molecular Weight341.24 g/mol
Exact Mass341.06
IUPAC NameN-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESIc1ccc(CC2CCC2CNC2CC2)cc1
InChIInChI=1S/C15H20IN/c16-14-5-1-11(2-6-14)9-12-3-4-13(12)10-17-15-7-8-15/h1-2,5-6,12-13,15,17H,3-4,7-10H2
InChIKeyZSXZEPQJNYVRBT-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 53.61
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-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine (CID 81017966) is N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine is Ic1ccc(CC2CCC2CNC2CC2)cc1.
What is the InChIKey of N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The InChIKey is ZSXZEPQJNYVRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN/c16-14-5-1-11(2-6-14)9-12-3-4-13(12)10-17-15-7-8-15/h1-2,5-6,12-13,15,17H,3-4,7-10H2.
What are the key properties of N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine has a molecular weight of 341.24 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 81017966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).