7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane

C12H23NO — CID 59491036

IUPAC7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane
SMILESCCC(C)CN1CC(OC)C2(CC2)C1
InChIInChI=1S/C12H23NO/c1-4-10(2)7-13-8-11(14-3)12(9-13)5-6-12/h10-11H,4-9H2,1-3H3
InChIKeyDUGJKKAEQWEAMF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds4

About 7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane

7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane (PubChem CID 59491036) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane
PubChem CID59491036
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane
SMILESCCC(C)CN1CC(OC)C2(CC2)C1
InChIInChI=1S/C12H23NO/c1-4-10(2)7-13-8-11(14-3)12(9-13)5-6-12/h10-11H,4-9H2,1-3H3
InChIKeyDUGJKKAEQWEAMF-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane?
The IUPAC name of 7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane (CID 59491036) is 7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane.
What is the SMILES notation for 7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane?
The canonical SMILES for 7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane is CCC(C)CN1CC(OC)C2(CC2)C1.
What is the InChIKey of 7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane?
The InChIKey is DUGJKKAEQWEAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(2)7-13-8-11(14-3)12(9-13)5-6-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane?
7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane has a molecular weight of 197.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane is sourced from PubChem (CID 59491036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).