N-(iodomethyl)cyclopentanamine

C6H12IN — CID 126663668

IUPACN-(iodomethyl)cyclopentanamine
SMILESICNC1CCCC1
InChIInChI=1S/C6H12IN/c7-5-8-6-3-1-2-4-6/h6,8H,1-5H2
InChIKeyLKNHMZUHQQCGQU-UHFFFAOYSA-N
MW225.07 g/mol
LogP1.91
Rot. Bonds2

About N-(iodomethyl)cyclopentanamine

N-(iodomethyl)cyclopentanamine (PubChem CID 126663668) has the molecular formula C6H12IN and a molecular weight of 225.07 g/mol. Its IUPAC name is N-(iodomethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(iodomethyl)cyclopentanamine
PubChem CID126663668
Molecular FormulaC6H12IN
Molecular Weight225.07 g/mol
Exact Mass225.00
IUPAC NameN-(iodomethyl)cyclopentanamine
SMILESICNC1CCCC1
InChIInChI=1S/C6H12IN/c7-5-8-6-3-1-2-4-6/h6,8H,1-5H2
InChIKeyLKNHMZUHQQCGQU-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(iodomethyl)cyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(iodomethyl)cyclohexanamine
CID 89271682
N-(iodomethoxymethyl)cyclopentanamine;hydrochloride
CID 69185136
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N'-cycloundecylethane-1,2-diamine
CID 166845791
N-ethylcyclopentanamine;methanol
CID 161343027
ethane;N-ethylcyclohexanamine
CID 144865505
N'-cyclopentylethane-1,2-diamine;dihydrochloride
CID 154725501
N-(chloromethyl)cyclobutanamine
CID 115262784
N-(2-iodo-2-methylpropyl)cyclohexanamine
CID 121246583
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514

Frequently Asked Questions

What is the IUPAC name of N-(iodomethyl)cyclopentanamine?
The IUPAC name of N-(iodomethyl)cyclopentanamine (CID 126663668) is N-(iodomethyl)cyclopentanamine.
What is the SMILES notation for N-(iodomethyl)cyclopentanamine?
The canonical SMILES for N-(iodomethyl)cyclopentanamine is ICNC1CCCC1.
What is the InChIKey of N-(iodomethyl)cyclopentanamine?
The InChIKey is LKNHMZUHQQCGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IN/c7-5-8-6-3-1-2-4-6/h6,8H,1-5H2.
What are the key properties of N-(iodomethyl)cyclopentanamine?
N-(iodomethyl)cyclopentanamine has a molecular weight of 225.07 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodomethyl)cyclopentanamine is sourced from PubChem (CID 126663668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).