1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine

C9H16N2O — CID 146181648

IUPAC1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine
SMILES[H]/N=C(\C)N1CC2(CCOCC2)C1
InChIInChI=1S/C9H16N2O/c1-8(10)11-6-9(7-11)2-4-12-5-3-9/h10H,2-7H2,1H3/b10-8+
InChIKeyFLJSGYLNEBYSND-CSKARUKUSA-N
MW168.24 g/mol
LogP1.10
Rot. Bonds

About 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine

1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine (PubChem CID 146181648) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine.

Molecular Properties

Compound Name1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine
PubChem CID146181648
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine
SMILES[H]/N=C(\C)N1CC2(CCOCC2)C1
InChIInChI=1S/C9H16N2O/c1-8(10)11-6-9(7-11)2-4-12-5-3-9/h10H,2-7H2,1H3/b10-8+
InChIKeyFLJSGYLNEBYSND-CSKARUKUSA-N
XLogP1.10
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine?
The IUPAC name of 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine (CID 146181648) is 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine.
What is the SMILES notation for 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine?
The canonical SMILES for 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine is [H]/N=C(\C)N1CC2(CCOCC2)C1.
What is the InChIKey of 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine?
The InChIKey is FLJSGYLNEBYSND-CSKARUKUSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(10)11-6-9(7-11)2-4-12-5-3-9/h10H,2-7H2,1H3/b10-8+.
What are the key properties of 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine?
1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine has a molecular weight of 168.24 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine is sourced from PubChem (CID 146181648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).