6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine

C8H16N2O2 — CID 19883363

IUPAC6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine
SMILESNCC1CNCC12OCCCO2
InChIInChI=1S/C8H16N2O2/c9-4-7-5-10-6-8(7)11-2-1-3-12-8/h7,10H,1-6,9H2
InChIKeyYITVBLRFOBGJHT-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.70
Rot. Bonds1

About 6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine

6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine (PubChem CID 19883363) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine.

Molecular Properties

Compound Name6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine
PubChem CID19883363
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine
SMILESNCC1CNCC12OCCCO2
InChIInChI=1S/C8H16N2O2/c9-4-7-5-10-6-8(7)11-2-1-3-12-8/h7,10H,1-6,9H2
InChIKeyYITVBLRFOBGJHT-UHFFFAOYSA-N
XLogP-0.70
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine?
The IUPAC name of 6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine (CID 19883363) is 6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine.
What is the SMILES notation for 6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine?
The canonical SMILES for 6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine is NCC1CNCC12OCCCO2.
What is the InChIKey of 6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine?
The InChIKey is YITVBLRFOBGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-4-7-5-10-6-8(7)11-2-1-3-12-8/h7,10H,1-6,9H2.
What are the key properties of 6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine?
6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine has a molecular weight of 172.23 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dioxa-2-azaspiro[4.5]decan-4-ylmethanamine is sourced from PubChem (CID 19883363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).