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

C12H23N3O — CID 117003116

IUPAC2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCN(C)CCN1CCC2(CCNCC2)C1=O
InChIInChI=1S/C12H23N3O/c1-14(2)9-10-15-8-5-12(11(15)16)3-6-13-7-4-12/h13H,3-10H2,1-2H3
InChIKeyCGWOLSXXKUOGKT-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.15
Rot. Bonds3

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

2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 117003116) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID117003116
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCN(C)CCN1CCC2(CCNCC2)C1=O
InChIInChI=1S/C12H23N3O/c1-14(2)9-10-15-8-5-12(11(15)16)3-6-13-7-4-12/h13H,3-10H2,1-2H3
InChIKeyCGWOLSXXKUOGKT-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-2,8-diazaspiro[4.5]decan-1-one
CID 117003109
2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one
CID 172785734
2-[2-(dimethylamino)ethyl]-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97362471
2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449717
2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97370180
2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449175
2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155853444
2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074122
2-[2-(dimethylamino)ethyl]-8-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155835342
2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 45074112
2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131681877
2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 97472843

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one (CID 117003116) is 2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one is CN(C)CCN1CCC2(CCNCC2)C1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is CGWOLSXXKUOGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14(2)9-10-15-8-5-12(11(15)16)3-6-13-7-4-12/h13H,3-10H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 225.34 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 117003116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).