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

C8H16N2O — CID 168881065

IUPAC1-methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine
SMILESCN1CCCC12COCC2N
InChIInChI=1S/C8H16N2O/c1-10-4-2-3-8(10)6-11-5-7(8)9/h7H,2-6,9H2,1H3
InChIKeyWHPKBVKZTKTVEI-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.19
Rot. Bonds

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

1-methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine (PubChem CID 168881065) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine.

Molecular Properties

Compound Name1-methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine
PubChem CID168881065
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine
SMILESCN1CCCC12COCC2N
InChIInChI=1S/C8H16N2O/c1-10-4-2-3-8(10)6-11-5-7(8)9/h7H,2-6,9H2,1H3
InChIKeyWHPKBVKZTKTVEI-UHFFFAOYSA-N
XLogP-0.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine?
The IUPAC name of 1-methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine (CID 168881065) is 1-methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine.
What is the SMILES notation for 1-methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine?
The canonical SMILES for 1-methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine is CN1CCCC12COCC2N.
What is the InChIKey of 1-methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine?
The InChIKey is WHPKBVKZTKTVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-4-2-3-8(10)6-11-5-7(8)9/h7H,2-6,9H2,1H3.
What are the key properties of 1-methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine?
1-methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine has a molecular weight of 156.23 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-oxa-1-azaspiro[4.4]nonan-9-amine is sourced from PubChem (CID 168881065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).