7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine

C7H13IN2O — CID 166796989

IUPAC7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine
SMILESNC1CCOC12CCN(I)C2
InChIInChI=1S/C7H13IN2O/c8-10-3-2-7(5-10)6(9)1-4-11-7/h6H,1-5,9H2
InChIKeyNYFFZBQYKRNICW-UHFFFAOYSA-N
MW268.10 g/mol
LogP0.53
Rot. Bonds

About 7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine

7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine (PubChem CID 166796989) has the molecular formula C7H13IN2O and a molecular weight of 268.10 g/mol. Its IUPAC name is 7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine.

Molecular Properties

Compound Name7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine
PubChem CID166796989
Molecular FormulaC7H13IN2O
Molecular Weight268.10 g/mol
Exact Mass268.01
IUPAC Name7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine
SMILESNC1CCOC12CCN(I)C2
InChIInChI=1S/C7H13IN2O/c8-10-3-2-7(5-10)6(9)1-4-11-7/h6H,1-5,9H2
InChIKeyNYFFZBQYKRNICW-UHFFFAOYSA-N
XLogP0.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine?
The IUPAC name of 7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine (CID 166796989) is 7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine.
What is the SMILES notation for 7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine?
The canonical SMILES for 7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine is NC1CCOC12CCN(I)C2.
What is the InChIKey of 7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine?
The InChIKey is NYFFZBQYKRNICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IN2O/c8-10-3-2-7(5-10)6(9)1-4-11-7/h6H,1-5,9H2.
What are the key properties of 7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine?
7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine has a molecular weight of 268.10 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine is sourced from PubChem (CID 166796989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).