3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine

C12H24N2O — CID 121204411

IUPAC3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine
SMILESCOCC1CN(CCCN)CC12CCC2
InChIInChI=1S/C12H24N2O/c1-15-9-11-8-14(7-3-6-13)10-12(11)4-2-5-12/h11H,2-10,13H2,1H3
InChIKeySTKOUFGJTMSEDW-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.08
Rot. Bonds5

About 3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine

3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine (PubChem CID 121204411) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine.

Molecular Properties

Compound Name3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine
PubChem CID121204411
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine
SMILESCOCC1CN(CCCN)CC12CCC2
InChIInChI=1S/C12H24N2O/c1-15-9-11-8-14(7-3-6-13)10-12(11)4-2-5-12/h11H,2-10,13H2,1H3
InChIKeySTKOUFGJTMSEDW-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine?
The IUPAC name of 3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine (CID 121204411) is 3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine.
What is the SMILES notation for 3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine?
The canonical SMILES for 3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine is COCC1CN(CCCN)CC12CCC2.
What is the InChIKey of 3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine?
The InChIKey is STKOUFGJTMSEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-15-9-11-8-14(7-3-6-13)10-12(11)4-2-5-12/h11H,2-10,13H2,1H3.
What are the key properties of 3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine?
3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine is sourced from PubChem (CID 121204411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).