5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one

C11H21NO2 — CID 13012624

IUPAC5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one
SMILESCN(C)CC1(C)COC(C)(C)CC1=O
InChIInChI=1S/C11H21NO2/c1-10(2)6-9(13)11(3,8-14-10)7-12(4)5/h6-8H2,1-5H3
InChIKeyVDSUUDXRCCYGCK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds2

About 5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one

5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one (PubChem CID 13012624) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one
PubChem CID13012624
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one
SMILESCN(C)CC1(C)COC(C)(C)CC1=O
InChIInChI=1S/C11H21NO2/c1-10(2)6-9(13)11(3,8-14-10)7-12(4)5/h6-8H2,1-5H3
InChIKeyVDSUUDXRCCYGCK-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one
CID 13308219
3-[3-(2-carboxyethyl)-6,6-dimethyl-4-oxooxan-3-yl]propanoic acid
CID 13402957
N,N-dimethyl-1-[(2R)-2-silyloxiran-2-yl]methanamine
CID 174012950
5-[(dimethylamino)methyl]-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 171457008
N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane
CID 163386010
2,2-dimethyloxirane;methanol
CID 161373463
2,2-dimethyloxirane;naphthalene
CID 175358693
(3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one
CID 129405766
2,2-bis[(dimethylamino)methyl]cyclohexan-1-one
CID 53411153
(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride
CID 54605002
(5E)-5-benzylidene-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride
CID 6516835
bromomethane;N,N-dimethyl-1-(5-methyl-2,2-diphenyl-1,3-dioxan-5-yl)methanamine
CID 23622651

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one?
The IUPAC name of 5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one (CID 13012624) is 5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one.
What is the SMILES notation for 5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one?
The canonical SMILES for 5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one is CN(C)CC1(C)COC(C)(C)CC1=O.
What is the InChIKey of 5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one?
The InChIKey is VDSUUDXRCCYGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)6-9(13)11(3,8-14-10)7-12(4)5/h6-8H2,1-5H3.
What are the key properties of 5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one?
5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one has a molecular weight of 199.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-2,2,5-trimethyloxan-4-one is sourced from PubChem (CID 13012624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).