N-[4-(4-iodophenyl)butyl]cyclopropanamine

C13H18IN — CID 65489763

IUPACN-[4-(4-iodophenyl)butyl]cyclopropanamine
SMILESIc1ccc(CCCCNC2CC2)cc1
InChIInChI=1S/C13H18IN/c14-12-6-4-11(5-7-12)3-1-2-10-15-13-8-9-13/h4-7,13,15H,1-3,8-10H2
InChIKeyGDAGJQLNOLXIEJ-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.37
Rot. Bonds6

About N-[4-(4-iodophenyl)butyl]cyclopropanamine

N-[4-(4-iodophenyl)butyl]cyclopropanamine (PubChem CID 65489763) has the molecular formula C13H18IN and a molecular weight of 315.20 g/mol. Its IUPAC name is N-[4-(4-iodophenyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-iodophenyl)butyl]cyclopropanamine
PubChem CID65489763
Molecular FormulaC13H18IN
Molecular Weight315.20 g/mol
Exact Mass315.05
IUPAC NameN-[4-(4-iodophenyl)butyl]cyclopropanamine
SMILESIc1ccc(CCCCNC2CC2)cc1
InChIInChI=1S/C13H18IN/c14-12-6-4-11(5-7-12)3-1-2-10-15-13-8-9-13/h4-7,13,15H,1-3,8-10H2
InChIKeyGDAGJQLNOLXIEJ-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
CID 65301069
N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine
CID 66258837
N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine
CID 105347923
N-(3-pyridin-4-ylpropyl)cyclopropanamine
CID 62549515
N-(4-phenylbutyl)oxan-4-amine
CID 115651772
N-(4-phenylbutyl)thian-4-amine
CID 115575565
N-(4-phenylbutyl)piperidin-4-amine
CID 44592823
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
4-(4-phenylbutylamino)cyclohexane-1-carboxamide
CID 114333233
N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
CID 98016854
N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine
CID 98016483

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-iodophenyl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(4-iodophenyl)butyl]cyclopropanamine (CID 65489763) is N-[4-(4-iodophenyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-iodophenyl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-iodophenyl)butyl]cyclopropanamine is Ic1ccc(CCCCNC2CC2)cc1.
What is the InChIKey of N-[4-(4-iodophenyl)butyl]cyclopropanamine?
The InChIKey is GDAGJQLNOLXIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN/c14-12-6-4-11(5-7-12)3-1-2-10-15-13-8-9-13/h4-7,13,15H,1-3,8-10H2.
What are the key properties of N-[4-(4-iodophenyl)butyl]cyclopropanamine?
N-[4-(4-iodophenyl)butyl]cyclopropanamine has a molecular weight of 315.20 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-iodophenyl)butyl]cyclopropanamine is sourced from PubChem (CID 65489763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).