1-oxa-7-azaspiro[4.4]nonan-9-amine

C7H14N2O — CID 137488564

IUPAC1-oxa-7-azaspiro[4.4]nonan-9-amine
SMILESNC1CNCC12CCCO2
InChIInChI=1S/C7H14N2O/c8-6-4-9-5-7(6)2-1-3-10-7/h6,9H,1-5,8H2
InChIKeySJTXYAKJJRYGIG-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.53
Rot. Bonds

About 1-oxa-7-azaspiro[4.4]nonan-9-amine

1-oxa-7-azaspiro[4.4]nonan-9-amine (PubChem CID 137488564) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-oxa-7-azaspiro[4.4]nonan-9-amine.

Molecular Properties

Compound Name1-oxa-7-azaspiro[4.4]nonan-9-amine
PubChem CID137488564
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-oxa-7-azaspiro[4.4]nonan-9-amine
SMILESNC1CNCC12CCCO2
InChIInChI=1S/C7H14N2O/c8-6-4-9-5-7(6)2-1-3-10-7/h6,9H,1-5,8H2
InChIKeySJTXYAKJJRYGIG-UHFFFAOYSA-N
XLogP-0.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-7-azaspiro[4.4]nonan-9-amine?
The IUPAC name of 1-oxa-7-azaspiro[4.4]nonan-9-amine (CID 137488564) is 1-oxa-7-azaspiro[4.4]nonan-9-amine.
What is the SMILES notation for 1-oxa-7-azaspiro[4.4]nonan-9-amine?
The canonical SMILES for 1-oxa-7-azaspiro[4.4]nonan-9-amine is NC1CNCC12CCCO2.
What is the InChIKey of 1-oxa-7-azaspiro[4.4]nonan-9-amine?
The InChIKey is SJTXYAKJJRYGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c8-6-4-9-5-7(6)2-1-3-10-7/h6,9H,1-5,8H2.
What are the key properties of 1-oxa-7-azaspiro[4.4]nonan-9-amine?
1-oxa-7-azaspiro[4.4]nonan-9-amine has a molecular weight of 142.20 g/mol, XLogP of -0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-7-azaspiro[4.4]nonan-9-amine is sourced from PubChem (CID 137488564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).