3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane

C13H25N — CID 91210908

IUPAC3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane
SMILESCCC1CC2(CCCC2)CN1C(C)C
InChIInChI=1S/C13H25N/c1-4-12-9-13(7-5-6-8-13)10-14(12)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyJMJSHJRLDKWYFK-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.44
Rot. Bonds2

About 3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane

3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane (PubChem CID 91210908) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane
PubChem CID91210908
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane
SMILESCCC1CC2(CCCC2)CN1C(C)C
InChIInChI=1S/C13H25N/c1-4-12-9-13(7-5-6-8-13)10-14(12)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyJMJSHJRLDKWYFK-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane?
The IUPAC name of 3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane (CID 91210908) is 3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane.
What is the SMILES notation for 3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane?
The canonical SMILES for 3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane is CCC1CC2(CCCC2)CN1C(C)C.
What is the InChIKey of 3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane?
The InChIKey is JMJSHJRLDKWYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-12-9-13(7-5-6-8-13)10-14(12)11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane?
3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane has a molecular weight of 195.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane is sourced from PubChem (CID 91210908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).