7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine

C8H15IN2O — CID 166797007

IUPAC7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine
SMILESCC1CCOC12CN(I)CC2N
InChIInChI=1S/C8H15IN2O/c1-6-2-3-12-8(6)5-11(9)4-7(8)10/h6-7H,2-5,10H2,1H3
InChIKeyUYAVMFBHEGCPLL-UHFFFAOYSA-N
MW282.12 g/mol
LogP0.77
Rot. Bonds

About 7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine

7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine (PubChem CID 166797007) has the molecular formula C8H15IN2O and a molecular weight of 282.12 g/mol. Its IUPAC name is 7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine.

Molecular Properties

Compound Name7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine
PubChem CID166797007
Molecular FormulaC8H15IN2O
Molecular Weight282.12 g/mol
Exact Mass282.02
IUPAC Name7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine
SMILESCC1CCOC12CN(I)CC2N
InChIInChI=1S/C8H15IN2O/c1-6-2-3-12-8(6)5-11(9)4-7(8)10/h6-7H,2-5,10H2,1H3
InChIKeyUYAVMFBHEGCPLL-UHFFFAOYSA-N
XLogP0.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 50.77
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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Related Compounds

4-Methyl-1-oxa-7-azaspiro[4.4]nonane
CID 57134012
6-Methyl-1-oxa-7-azaspiro[4.4]nonane
CID 129125882
1-Oxa-7-azaspiro[4.4]nonan-9-amine
CID 137488564
1-Oxa-7-azaspiro[4.4]nonan-4-amine
CID 137489572
4-Methyl-1-oxa-7-azaspiro[4.4]nonane-7,9-diamine
CID 137489576
4,7-Dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine
CID 142528450
Ethane;6-methyl-1-oxa-7-azaspiro[4.4]nonane
CID 145305511
4-Methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine
CID 146364725
7-Iodo-1-oxa-7-azaspiro[4.4]nonan-4-amine
CID 166796989
7-Methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine
CID 166797028
1-Methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine
CID 168881065
N,N-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 172489644

Frequently Asked Questions

What is the IUPAC name of 7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine?
The IUPAC name of 7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine (CID 166797007) is 7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine.
What is the SMILES notation for 7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine?
The canonical SMILES for 7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine is CC1CCOC12CN(I)CC2N.
What is the InChIKey of 7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine?
The InChIKey is UYAVMFBHEGCPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IN2O/c1-6-2-3-12-8(6)5-11(9)4-7(8)10/h6-7H,2-5,10H2,1H3.
What are the key properties of 7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine?
7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine has a molecular weight of 282.12 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine is sourced from PubChem (CID 166797007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).