N-iodo-7-azaspiro[3.5]nonan-2-amine

C8H15IN2 — CID 170049966

IUPACN-iodo-7-azaspiro[3.5]nonan-2-amine
SMILESINC1CC2(CCNCC2)C1
InChIInChI=1S/C8H15IN2/c9-11-7-5-8(6-7)1-3-10-4-2-8/h7,10-11H,1-6H2
InChIKeyCUVCMMKRIKFCGB-UHFFFAOYSA-N
MW266.13 g/mol
LogP1.46
Rot. Bonds1

About N-iodo-7-azaspiro[3.5]nonan-2-amine

N-iodo-7-azaspiro[3.5]nonan-2-amine (PubChem CID 170049966) has the molecular formula C8H15IN2 and a molecular weight of 266.13 g/mol. Its IUPAC name is N-iodo-7-azaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound NameN-iodo-7-azaspiro[3.5]nonan-2-amine
PubChem CID170049966
Molecular FormulaC8H15IN2
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC NameN-iodo-7-azaspiro[3.5]nonan-2-amine
SMILESINC1CC2(CCNCC2)C1
InChIInChI=1S/C8H15IN2/c9-11-7-5-8(6-7)1-3-10-4-2-8/h7,10-11H,1-6H2
InChIKeyCUVCMMKRIKFCGB-UHFFFAOYSA-N
XLogP1.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-iodo-7-azaspiro[3.5]nonan-2-amine?
The IUPAC name of N-iodo-7-azaspiro[3.5]nonan-2-amine (CID 170049966) is N-iodo-7-azaspiro[3.5]nonan-2-amine.
What is the SMILES notation for N-iodo-7-azaspiro[3.5]nonan-2-amine?
The canonical SMILES for N-iodo-7-azaspiro[3.5]nonan-2-amine is INC1CC2(CCNCC2)C1.
What is the InChIKey of N-iodo-7-azaspiro[3.5]nonan-2-amine?
The InChIKey is CUVCMMKRIKFCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IN2/c9-11-7-5-8(6-7)1-3-10-4-2-8/h7,10-11H,1-6H2.
What are the key properties of N-iodo-7-azaspiro[3.5]nonan-2-amine?
N-iodo-7-azaspiro[3.5]nonan-2-amine has a molecular weight of 266.13 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-7-azaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 170049966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).