1-oxaspiro[3.4]octan-3-amine

C7H13NO — CID 155895257

IUPAC1-oxaspiro[3.4]octan-3-amine
SMILESNC1COC12CCCC2
InChIInChI=1S/C7H13NO/c8-6-5-9-7(6)3-1-2-4-7/h6H,1-5,8H2
InChIKeyDCRDVAGTYOVFOE-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.66
Rot. Bonds

About 1-oxaspiro[3.4]octan-3-amine

1-oxaspiro[3.4]octan-3-amine (PubChem CID 155895257) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-oxaspiro[3.4]octan-3-amine.

Molecular Properties

Compound Name1-oxaspiro[3.4]octan-3-amine
PubChem CID155895257
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-oxaspiro[3.4]octan-3-amine
SMILESNC1COC12CCCC2
InChIInChI=1S/C7H13NO/c8-6-5-9-7(6)3-1-2-4-7/h6H,1-5,8H2
InChIKeyDCRDVAGTYOVFOE-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 1-oxaspiro[3.4]octan-3-amine?
The IUPAC name of 1-oxaspiro[3.4]octan-3-amine (CID 155895257) is 1-oxaspiro[3.4]octan-3-amine.
What is the SMILES notation for 1-oxaspiro[3.4]octan-3-amine?
The canonical SMILES for 1-oxaspiro[3.4]octan-3-amine is NC1COC12CCCC2.
What is the InChIKey of 1-oxaspiro[3.4]octan-3-amine?
The InChIKey is DCRDVAGTYOVFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-6-5-9-7(6)3-1-2-4-7/h6H,1-5,8H2.
What are the key properties of 1-oxaspiro[3.4]octan-3-amine?
1-oxaspiro[3.4]octan-3-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 1-oxaspiro[3.4]octan-3-amine is sourced from PubChem (CID 155895257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).