1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine

C12H22N2 — CID 130516539

IUPAC1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCC2(CCCC2)C1
InChIInChI=1S/C12H22N2/c1-10(2)11(13)14-8-7-12(9-14)5-3-4-6-12/h10,13H,3-9H2,1-2H3/b13-11+
InChIKeyOOVVTAFNRTZDTG-ACCUITESSA-N
MW194.32 g/mol
LogP2.89
Rot. Bonds1

About 1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine

1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine (PubChem CID 130516539) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine.

Molecular Properties

Compound Name1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine
PubChem CID130516539
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCC2(CCCC2)C1
InChIInChI=1S/C12H22N2/c1-10(2)11(13)14-8-7-12(9-14)5-3-4-6-12/h10,13H,3-9H2,1-2H3/b13-11+
InChIKeyOOVVTAFNRTZDTG-ACCUITESSA-N
XLogP2.89
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine?
The IUPAC name of 1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine (CID 130516539) is 1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine.
What is the SMILES notation for 1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine?
The canonical SMILES for 1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine is [H]/N=C(\C(C)C)N1CCC2(CCCC2)C1.
What is the InChIKey of 1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine?
The InChIKey is OOVVTAFNRTZDTG-ACCUITESSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)11(13)14-8-7-12(9-14)5-3-4-6-12/h10,13H,3-9H2,1-2H3/b13-11+.
What are the key properties of 1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine?
1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine has a molecular weight of 194.32 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine is sourced from PubChem (CID 130516539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).