5-oxaspiro[3.4]octan-2-amine

C7H13NO — CID 56962190

IUPAC5-oxaspiro[3.4]octan-2-amine
SMILESNC1CC2(CCCO2)C1
InChIInChI=1S/C7H13NO/c8-6-4-7(5-6)2-1-3-9-7/h6H,1-5,8H2
InChIKeyMNSBKXZGNNQYBX-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.66
Rot. Bonds

About 5-oxaspiro[3.4]octan-2-amine

5-oxaspiro[3.4]octan-2-amine (PubChem CID 56962190) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-oxaspiro[3.4]octan-2-amine.

Molecular Properties

Compound Name5-oxaspiro[3.4]octan-2-amine
PubChem CID56962190
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-oxaspiro[3.4]octan-2-amine
SMILESNC1CC2(CCCO2)C1
InChIInChI=1S/C7H13NO/c8-6-4-7(5-6)2-1-3-9-7/h6H,1-5,8H2
InChIKeyMNSBKXZGNNQYBX-UHFFFAOYSA-N
XLogP0.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.4]octan-2-amine?
The IUPAC name of 5-oxaspiro[3.4]octan-2-amine (CID 56962190) is 5-oxaspiro[3.4]octan-2-amine.
What is the SMILES notation for 5-oxaspiro[3.4]octan-2-amine?
The canonical SMILES for 5-oxaspiro[3.4]octan-2-amine is NC1CC2(CCCO2)C1.
What is the InChIKey of 5-oxaspiro[3.4]octan-2-amine?
The InChIKey is MNSBKXZGNNQYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-6-4-7(5-6)2-1-3-9-7/h6H,1-5,8H2.
What are the key properties of 5-oxaspiro[3.4]octan-2-amine?
5-oxaspiro[3.4]octan-2-amine has a molecular weight of 127.19 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.4]octan-2-amine is sourced from PubChem (CID 56962190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).