8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide

C12H20N2O3 — CID 54891087

IUPAC8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESNC(=O)C1(NC2CC2)CCC2(CC1)OCCO2
InChIInChI=1S/C12H20N2O3/c13-10(15)11(14-9-1-2-9)3-5-12(6-4-11)16-7-8-17-12/h9,14H,1-8H2,(H2,13,15)
InChIKeyXEOHNPGCMDBAEE-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.28
Rot. Bonds3

About 8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide

8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 54891087) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID54891087
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESNC(=O)C1(NC2CC2)CCC2(CC1)OCCO2
InChIInChI=1S/C12H20N2O3/c13-10(15)11(14-9-1-2-9)3-5-12(6-4-11)16-7-8-17-12/h9,14H,1-8H2,(H2,13,15)
InChIKeyXEOHNPGCMDBAEE-UHFFFAOYSA-N
XLogP0.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide (CID 54891087) is 8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide is NC(=O)C1(NC2CC2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is XEOHNPGCMDBAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-10(15)11(14-9-1-2-9)3-5-12(6-4-11)16-7-8-17-12/h9,14H,1-8H2,(H2,13,15).
What are the key properties of 8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 54891087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).