2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide

C13H23N3O — CID 134468949

IUPAC2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CC2(CC(NC3CC3)C2)C1
InChIInChI=1S/C13H23N3O/c1-2-14-12(17)7-16-8-13(9-16)5-11(6-13)15-10-3-4-10/h10-11,15H,2-9H2,1H3,(H,14,17)
InChIKeyBUNAYMZXPSJYBM-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.34
Rot. Bonds5

About 2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide

2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide (PubChem CID 134468949) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide
PubChem CID134468949
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CC2(CC(NC3CC3)C2)C1
InChIInChI=1S/C13H23N3O/c1-2-14-12(17)7-16-8-13(9-16)5-11(6-13)15-10-3-4-10/h10-11,15H,2-9H2,1H3,(H,14,17)
InChIKeyBUNAYMZXPSJYBM-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide?
The IUPAC name of 2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide (CID 134468949) is 2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide?
The canonical SMILES for 2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide is CCNC(=O)CN1CC2(CC(NC3CC3)C2)C1.
What is the InChIKey of 2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide?
The InChIKey is BUNAYMZXPSJYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-14-12(17)7-16-8-13(9-16)5-11(6-13)15-10-3-4-10/h10-11,15H,2-9H2,1H3,(H,14,17).
What are the key properties of 2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide?
2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide has a molecular weight of 237.35 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopropylamino)-2-azaspiro[3.3]heptan-2-yl]-N-ethylacetamide is sourced from PubChem (CID 134468949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).