7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C13H24N2O — CID 170052251

IUPAC7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCN1CCCC2(CCN(C(C)C)C2)C1=O
InChIInChI=1S/C13H24N2O/c1-4-14-8-5-6-13(12(14)16)7-9-15(10-13)11(2)3/h11H,4-10H2,1-3H3
InChIKeyWUXMQLCAKGYIHR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.73
Rot. Bonds2

About 7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 170052251) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID170052251
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCN1CCCC2(CCN(C(C)C)C2)C1=O
InChIInChI=1S/C13H24N2O/c1-4-14-8-5-6-13(12(14)16)7-9-15(10-13)11(2)3/h11H,4-10H2,1-3H3
InChIKeyWUXMQLCAKGYIHR-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 170052251) is 7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CCN1CCCC2(CCN(C(C)C)C2)C1=O.
What is the InChIKey of 7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WUXMQLCAKGYIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-14-8-5-6-13(12(14)16)7-9-15(10-13)11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 224.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 170052251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).