2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine

C12H22N2O — CID 79677954

IUPAC2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(N)C1N1CC2(CCC2)C1
InChIInChI=1S/C12H22N2O/c1-2-15-10-6-9(13)11(10)14-7-12(8-14)4-3-5-12/h9-11H,2-8,13H2,1H3
InChIKeyYQZNYIICMPHZAX-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.98
Rot. Bonds3

About 2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine

2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine (PubChem CID 79677954) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound Name2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine
PubChem CID79677954
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(N)C1N1CC2(CCC2)C1
InChIInChI=1S/C12H22N2O/c1-2-15-10-6-9(13)11(10)14-7-12(8-14)4-3-5-12/h9-11H,2-8,13H2,1H3
InChIKeyYQZNYIICMPHZAX-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine?
The IUPAC name of 2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine (CID 79677954) is 2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for 2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine?
The canonical SMILES for 2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine is CCOC1CC(N)C1N1CC2(CCC2)C1.
What is the InChIKey of 2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine?
The InChIKey is YQZNYIICMPHZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-15-10-6-9(13)11(10)14-7-12(8-14)4-3-5-12/h9-11H,2-8,13H2,1H3.
What are the key properties of 2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine?
2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 79677954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).