3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine

C12H24N2O — CID 79687539

IUPAC3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine
SMILESCCC(CCN)N1CC2(CCOCC2)C1
InChIInChI=1S/C12H24N2O/c1-2-11(3-6-13)14-9-12(10-14)4-7-15-8-5-12/h11H,2-10,13H2,1H3
InChIKeyIOAYBMJGIOTWAT-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.23
Rot. Bonds4

About 3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine

3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine (PubChem CID 79687539) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine
PubChem CID79687539
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine
SMILESCCC(CCN)N1CC2(CCOCC2)C1
InChIInChI=1S/C12H24N2O/c1-2-11(3-6-13)14-9-12(10-14)4-7-15-8-5-12/h11H,2-10,13H2,1H3
InChIKeyIOAYBMJGIOTWAT-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine?
The IUPAC name of 3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine (CID 79687539) is 3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine.
What is the SMILES notation for 3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine?
The canonical SMILES for 3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine is CCC(CCN)N1CC2(CCOCC2)C1.
What is the InChIKey of 3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine?
The InChIKey is IOAYBMJGIOTWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-11(3-6-13)14-9-12(10-14)4-7-15-8-5-12/h11H,2-10,13H2,1H3.
What are the key properties of 3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine?
3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine is sourced from PubChem (CID 79687539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).