(3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine

C5H9IN2 — CID 67681776

IUPAC(3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine
SMILESNN1C2CC2C[C@H]1I
InChIInChI=1S/C5H9IN2/c6-5-2-3-1-4(3)8(5)7/h3-5H,1-2,7H2/t3?,4?,5-/m0/s1
InChIKeyOLWOKDOLJZBVJT-YCXLAJEKSA-N
MW224.04 g/mol
LogP0.72
Rot. Bonds

About (3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine

(3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine (PubChem CID 67681776) has the molecular formula C5H9IN2 and a molecular weight of 224.04 g/mol. Its IUPAC name is (3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine.

Molecular Properties

Compound Name(3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine
PubChem CID67681776
Molecular FormulaC5H9IN2
Molecular Weight224.04 g/mol
Exact Mass223.98
IUPAC Name(3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine
SMILESNN1C2CC2C[C@H]1I
InChIInChI=1S/C5H9IN2/c6-5-2-3-1-4(3)8(5)7/h3-5H,1-2,7H2/t3?,4?,5-/m0/s1
InChIKeyOLWOKDOLJZBVJT-YCXLAJEKSA-N
XLogP0.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine?
The IUPAC name of (3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine (CID 67681776) is (3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine.
What is the SMILES notation for (3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine?
The canonical SMILES for (3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine is NN1C2CC2C[C@H]1I.
What is the InChIKey of (3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine?
The InChIKey is OLWOKDOLJZBVJT-YCXLAJEKSA-N. The full InChI is InChI=1S/C5H9IN2/c6-5-2-3-1-4(3)8(5)7/h3-5H,1-2,7H2/t3?,4?,5-/m0/s1.
What are the key properties of (3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine?
(3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine has a molecular weight of 224.04 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-iodo-2-azabicyclo[3.1.0]hexan-2-amine is sourced from PubChem (CID 67681776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).