6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine

C7H15N3O — CID 137489578

IUPAC6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine
SMILESCOC1CN(N)C2(CC2)C1N
InChIInChI=1S/C7H15N3O/c1-11-5-4-10(9)7(2-3-7)6(5)8/h5-6H,2-4,8-9H2,1H3
InChIKeyRYFNJFXWJOQLOK-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.95
Rot. Bonds1

About 6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine

6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine (PubChem CID 137489578) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine.

Molecular Properties

Compound Name6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine
PubChem CID137489578
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine
SMILESCOC1CN(N)C2(CC2)C1N
InChIInChI=1S/C7H15N3O/c1-11-5-4-10(9)7(2-3-7)6(5)8/h5-6H,2-4,8-9H2,1H3
InChIKeyRYFNJFXWJOQLOK-UHFFFAOYSA-N
XLogP-0.95
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine?
The IUPAC name of 6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine (CID 137489578) is 6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine.
What is the SMILES notation for 6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine?
The canonical SMILES for 6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine is COC1CN(N)C2(CC2)C1N.
What is the InChIKey of 6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine?
The InChIKey is RYFNJFXWJOQLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-11-5-4-10(9)7(2-3-7)6(5)8/h5-6H,2-4,8-9H2,1H3.
What are the key properties of 6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine?
6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine has a molecular weight of 157.22 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-azaspiro[2.4]heptane-4,7-diamine is sourced from PubChem (CID 137489578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).