5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane

C12H23NO — CID 129270208

IUPAC5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane
SMILESCC(C)OCCCN1CCC2(CC2)C1
InChIInChI=1S/C12H23NO/c1-11(2)14-9-3-7-13-8-6-12(10-13)4-5-12/h11H,3-10H2,1-2H3
InChIKeyAAEQJHCCKBHACH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds5

About 5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane

5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane (PubChem CID 129270208) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane
PubChem CID129270208
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane
SMILESCC(C)OCCCN1CCC2(CC2)C1
InChIInChI=1S/C12H23NO/c1-11(2)14-9-3-7-13-8-6-12(10-13)4-5-12/h11H,3-10H2,1-2H3
InChIKeyAAEQJHCCKBHACH-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane?
The IUPAC name of 5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane (CID 129270208) is 5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane.
What is the SMILES notation for 5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane?
The canonical SMILES for 5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane is CC(C)OCCCN1CCC2(CC2)C1.
What is the InChIKey of 5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane?
The InChIKey is AAEQJHCCKBHACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)14-9-3-7-13-8-6-12(10-13)4-5-12/h11H,3-10H2,1-2H3.
What are the key properties of 5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane?
5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane has a molecular weight of 197.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane is sourced from PubChem (CID 129270208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).