7-oxaspiro[3.5]nonan-3-amine

C8H15NO — CID 71744023

IUPAC7-oxaspiro[3.5]nonan-3-amine
SMILESNC1CCC12CCOCC2
InChIInChI=1S/C8H15NO/c9-7-1-2-8(7)3-5-10-6-4-8/h7H,1-6,9H2
InChIKeyDJZUXFDAFKPNFI-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.90
Rot. Bonds

About 7-oxaspiro[3.5]nonan-3-amine

7-oxaspiro[3.5]nonan-3-amine (PubChem CID 71744023) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 7-oxaspiro[3.5]nonan-3-amine.

Molecular Properties

Compound Name7-oxaspiro[3.5]nonan-3-amine
PubChem CID71744023
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name7-oxaspiro[3.5]nonan-3-amine
SMILESNC1CCC12CCOCC2
InChIInChI=1S/C8H15NO/c9-7-1-2-8(7)3-5-10-6-4-8/h7H,1-6,9H2
InChIKeyDJZUXFDAFKPNFI-UHFFFAOYSA-N
XLogP0.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-oxaspiro[3.5]nonan-3-amine?
The IUPAC name of 7-oxaspiro[3.5]nonan-3-amine (CID 71744023) is 7-oxaspiro[3.5]nonan-3-amine.
What is the SMILES notation for 7-oxaspiro[3.5]nonan-3-amine?
The canonical SMILES for 7-oxaspiro[3.5]nonan-3-amine is NC1CCC12CCOCC2.
What is the InChIKey of 7-oxaspiro[3.5]nonan-3-amine?
The InChIKey is DJZUXFDAFKPNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c9-7-1-2-8(7)3-5-10-6-4-8/h7H,1-6,9H2.
What are the key properties of 7-oxaspiro[3.5]nonan-3-amine?
7-oxaspiro[3.5]nonan-3-amine has a molecular weight of 141.21 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxaspiro[3.5]nonan-3-amine is sourced from PubChem (CID 71744023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).