3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one

C11H22N4O — CID 82098667

IUPAC3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1CC2(CCNCC2)NC1=O
InChIInChI=1S/C11H22N4O/c1-14(2)7-8-15-9-11(13-10(15)16)3-5-12-6-4-11/h12H,3-9H2,1-2H3,(H,13,16)
InChIKeyLKPUARMQNYJHHH-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.30
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one

3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 82098667) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID82098667
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1CC2(CCNCC2)NC1=O
InChIInChI=1S/C11H22N4O/c1-14(2)7-8-15-9-11(13-10(15)16)3-5-12-6-4-11/h12H,3-9H2,1-2H3,(H,13,16)
InChIKeyLKPUARMQNYJHHH-UHFFFAOYSA-N
XLogP-0.30
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one (CID 82098667) is 3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one is CN(C)CCN1CC2(CCNCC2)NC1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is LKPUARMQNYJHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-14(2)7-8-15-9-11(13-10(15)16)3-5-12-6-4-11/h12H,3-9H2,1-2H3,(H,13,16).
What are the key properties of 3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 226.32 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 82098667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).