(7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine

C6H11IN2 — CID 155006440

IUPAC(7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine
SMILESN[C@@H]1CN(I)CC12CC2
InChIInChI=1S/C6H11IN2/c7-9-3-5(8)6(4-9)1-2-6/h5H,1-4,8H2/t5-/m1/s1
InChIKeyWZOMPJZPWVCXOT-RXMQYKEDSA-N
MW238.07 g/mol
LogP0.76
Rot. Bonds

About (7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine

(7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine (PubChem CID 155006440) has the molecular formula C6H11IN2 and a molecular weight of 238.07 g/mol. Its IUPAC name is (7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine.

Molecular Properties

Compound Name(7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine
PubChem CID155006440
Molecular FormulaC6H11IN2
Molecular Weight238.07 g/mol
Exact Mass238.00
IUPAC Name(7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine
SMILESN[C@@H]1CN(I)CC12CC2
InChIInChI=1S/C6H11IN2/c7-9-3-5(8)6(4-9)1-2-6/h5H,1-4,8H2/t5-/m1/s1
InChIKeyWZOMPJZPWVCXOT-RXMQYKEDSA-N
XLogP0.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 50.76
H-Bond Donors ≤ 51
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 (7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine?
The IUPAC name of (7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine (CID 155006440) is (7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine.
What is the SMILES notation for (7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine?
The canonical SMILES for (7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine is N[C@@H]1CN(I)CC12CC2.
What is the InChIKey of (7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine?
The InChIKey is WZOMPJZPWVCXOT-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11IN2/c7-9-3-5(8)6(4-9)1-2-6/h5H,1-4,8H2/t5-/m1/s1.
What are the key properties of (7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine?
(7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine has a molecular weight of 238.07 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine is sourced from PubChem (CID 155006440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).