5-oxaspiro[2.4]heptan-6-ylmethanamine

C7H13NO — CID 131402435

IUPAC5-oxaspiro[2.4]heptan-6-ylmethanamine
SMILESNCC1CC2(CC2)CO1
InChIInChI=1S/C7H13NO/c8-4-6-3-7(1-2-7)5-9-6/h6H,1-5,8H2
InChIKeyKUHIIBZROYQZJN-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.51
Rot. Bonds1

About 5-oxaspiro[2.4]heptan-6-ylmethanamine

5-oxaspiro[2.4]heptan-6-ylmethanamine (PubChem CID 131402435) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-oxaspiro[2.4]heptan-6-ylmethanamine.

Molecular Properties

Compound Name5-oxaspiro[2.4]heptan-6-ylmethanamine
PubChem CID131402435
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-oxaspiro[2.4]heptan-6-ylmethanamine
SMILESNCC1CC2(CC2)CO1
InChIInChI=1S/C7H13NO/c8-4-6-3-7(1-2-7)5-9-6/h6H,1-5,8H2
InChIKeyKUHIIBZROYQZJN-UHFFFAOYSA-N
XLogP0.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[2.4]heptan-6-ylmethanamine?
The IUPAC name of 5-oxaspiro[2.4]heptan-6-ylmethanamine (CID 131402435) is 5-oxaspiro[2.4]heptan-6-ylmethanamine.
What is the SMILES notation for 5-oxaspiro[2.4]heptan-6-ylmethanamine?
The canonical SMILES for 5-oxaspiro[2.4]heptan-6-ylmethanamine is NCC1CC2(CC2)CO1.
What is the InChIKey of 5-oxaspiro[2.4]heptan-6-ylmethanamine?
The InChIKey is KUHIIBZROYQZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-4-6-3-7(1-2-7)5-9-6/h6H,1-5,8H2.
What are the key properties of 5-oxaspiro[2.4]heptan-6-ylmethanamine?
5-oxaspiro[2.4]heptan-6-ylmethanamine has a molecular weight of 127.19 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[2.4]heptan-6-ylmethanamine is sourced from PubChem (CID 131402435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).