cis-(1S,2R)-2-iodocyclopentan-1-amine

C5H10IN — CID 90228959

IUPACcis-(1S,2R)-2-iodocyclopentan-1-amine
SMILESN[C@H]1CCC[C@H]1I
InChIInChI=1S/C5H10IN/c6-4-2-1-3-5(4)7/h4-5H,1-3,7H2/t4-,5+/m1/s1
InChIKeyKUBRURAJGSXLMM-UHNVWZDZSA-N
MW211.05 g/mol
LogP1.30
Rot. Bonds

About cis-(1S,2R)-2-iodocyclopentan-1-amine

cis-(1S,2R)-2-iodocyclopentan-1-amine (PubChem CID 90228959) has the molecular formula C5H10IN and a molecular weight of 211.05 g/mol. Its IUPAC name is cis-(1S,2R)-2-iodocyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-iodocyclopentan-1-amine
PubChem CID90228959
Molecular FormulaC5H10IN
Molecular Weight211.05 g/mol
Exact Mass210.99
IUPAC Namecis-(1S,2R)-2-iodocyclopentan-1-amine
SMILESN[C@H]1CCC[C@H]1I
InChIInChI=1S/C5H10IN/c6-4-2-1-3-5(4)7/h4-5H,1-3,7H2/t4-,5+/m1/s1
InChIKeyKUBRURAJGSXLMM-UHNVWZDZSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 51.30
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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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-iodocyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-2-iodocyclopentan-1-amine (CID 90228959) is cis-(1S,2R)-2-iodocyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-iodocyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-iodocyclopentan-1-amine is N[C@H]1CCC[C@H]1I.
What is the InChIKey of cis-(1S,2R)-2-iodocyclopentan-1-amine?
The InChIKey is KUBRURAJGSXLMM-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H10IN/c6-4-2-1-3-5(4)7/h4-5H,1-3,7H2/t4-,5+/m1/s1.
What are the key properties of cis-(1S,2R)-2-iodocyclopentan-1-amine?
cis-(1S,2R)-2-iodocyclopentan-1-amine has a molecular weight of 211.05 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-iodocyclopentan-1-amine is sourced from PubChem (CID 90228959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).