2-iodo-1-azacyclotridecene

C12H22IN — CID 134919966

IUPAC2-iodo-1-azacyclotridecene
SMILESI/C1=N/CCCCCCCCCCC1
InChIInChI=1S/C12H22IN/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-11H2/b14-12+
InChIKeyRDARQQXADDOBBX-WYMLVPIESA-N
MW307.22 g/mol
LogP4.73
Rot. Bonds

About 2-iodo-1-azacyclotridecene

2-iodo-1-azacyclotridecene (PubChem CID 134919966) has the molecular formula C12H22IN and a molecular weight of 307.22 g/mol. Its IUPAC name is 2-iodo-1-azacyclotridecene.

Molecular Properties

Compound Name2-iodo-1-azacyclotridecene
PubChem CID134919966
Molecular FormulaC12H22IN
Molecular Weight307.22 g/mol
Exact Mass307.08
IUPAC Name2-iodo-1-azacyclotridecene
SMILESI/C1=N/CCCCCCCCCCC1
InChIInChI=1S/C12H22IN/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-11H2/b14-12+
InChIKeyRDARQQXADDOBBX-WYMLVPIESA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-azacyclotridecene?
The IUPAC name of 2-iodo-1-azacyclotridecene (CID 134919966) is 2-iodo-1-azacyclotridecene.
What is the SMILES notation for 2-iodo-1-azacyclotridecene?
The canonical SMILES for 2-iodo-1-azacyclotridecene is I/C1=N/CCCCCCCCCCC1.
What is the InChIKey of 2-iodo-1-azacyclotridecene?
The InChIKey is RDARQQXADDOBBX-WYMLVPIESA-N. The full InChI is InChI=1S/C12H22IN/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-11H2/b14-12+.
What are the key properties of 2-iodo-1-azacyclotridecene?
2-iodo-1-azacyclotridecene has a molecular weight of 307.22 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-azacyclotridecene is sourced from PubChem (CID 134919966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).