2-[1-(2-iodoethyl)cyclohexyl]ethanamine

C10H20IN — CID 90084213

IUPAC2-[1-(2-iodoethyl)cyclohexyl]ethanamine
SMILESNCCC1(CCI)CCCCC1
InChIInChI=1S/C10H20IN/c11-8-6-10(7-9-12)4-2-1-3-5-10/h1-9,12H2
InChIKeyMGNHBPWNGXTJED-UHFFFAOYSA-N
MW281.18 g/mol
LogP3.11
Rot. Bonds4

About 2-[1-(2-iodoethyl)cyclohexyl]ethanamine

2-[1-(2-iodoethyl)cyclohexyl]ethanamine (PubChem CID 90084213) has the molecular formula C10H20IN and a molecular weight of 281.18 g/mol. Its IUPAC name is 2-[1-(2-iodoethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-iodoethyl)cyclohexyl]ethanamine
PubChem CID90084213
Molecular FormulaC10H20IN
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC Name2-[1-(2-iodoethyl)cyclohexyl]ethanamine
SMILESNCCC1(CCI)CCCCC1
InChIInChI=1S/C10H20IN/c11-8-6-10(7-9-12)4-2-1-3-5-10/h1-9,12H2
InChIKeyMGNHBPWNGXTJED-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 53.11
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'}

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Related Compounds

2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform
CID 175025312
3-[1-(2-aminoethyl)cyclobutyl]propan-1-amine
CID 140811736
2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine
CID 83818947
2-[1-(5-iminopentyl)cyclohexyl]ethanamine
CID 174474886
[1-(chloromethyl)cyclohexyl]methanamine
CID 55255403
2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine
CID 65305933
[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);dichloride
CID 10250859
2-[1-(2-hydroxyethyl)cyclodecyl]ethanol
CID 18618783
2-[1-(2-hydroxyethyl)cyclononadecyl]ethanol
CID 150954870
2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine
CID 80531724
2-[1-[2-(2,4,6-trimethylphenyl)ethyl]cyclopentyl]ethanamine
CID 65300447
ethane;2-(3-ethylpiperidin-3-yl)ethanamine
CID 143578860

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-iodoethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-[1-(2-iodoethyl)cyclohexyl]ethanamine (CID 90084213) is 2-[1-(2-iodoethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-[1-(2-iodoethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-[1-(2-iodoethyl)cyclohexyl]ethanamine is NCCC1(CCI)CCCCC1.
What is the InChIKey of 2-[1-(2-iodoethyl)cyclohexyl]ethanamine?
The InChIKey is MGNHBPWNGXTJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20IN/c11-8-6-10(7-9-12)4-2-1-3-5-10/h1-9,12H2.
What are the key properties of 2-[1-(2-iodoethyl)cyclohexyl]ethanamine?
2-[1-(2-iodoethyl)cyclohexyl]ethanamine has a molecular weight of 281.18 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-iodoethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 90084213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).