3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine

C12H23NO2 — CID 79914177

IUPAC3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
SMILESCOCCC(N)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H23NO2/c1-14-7-4-11(13)10-3-8-15-12(9-10)5-2-6-12/h10-11H,2-9,13H2,1H3
InChIKeyBTQKZBPDIKXCFU-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.70
Rot. Bonds4

About 3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine

3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine (PubChem CID 79914177) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
PubChem CID79914177
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
SMILESCOCCC(N)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H23NO2/c1-14-7-4-11(13)10-3-8-15-12(9-10)5-2-6-12/h10-11H,2-9,13H2,1H3
InChIKeyBTQKZBPDIKXCFU-UHFFFAOYSA-N
XLogP1.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
The IUPAC name of 3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine (CID 79914177) is 3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine is COCCC(N)C1CCOC2(CCC2)C1.
What is the InChIKey of 3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
The InChIKey is BTQKZBPDIKXCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-14-7-4-11(13)10-3-8-15-12(9-10)5-2-6-12/h10-11H,2-9,13H2,1H3.
What are the key properties of 3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine is sourced from PubChem (CID 79914177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).