cyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone

C12H22N2O2 — CID 71786028

IUPACcyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone
SMILESCN(C)CC1COCCN1C(=O)C1CCC1
InChIInChI=1S/C12H22N2O2/c1-13(2)8-11-9-16-7-6-14(11)12(15)10-4-3-5-10/h10-11H,3-9H2,1-2H3
InChIKeyBLBCJWXGMWADEE-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.58
Rot. Bonds3

About cyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone

cyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone (PubChem CID 71786028) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is cyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone
PubChem CID71786028
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namecyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone
SMILESCN(C)CC1COCCN1C(=O)C1CCC1
InChIInChI=1S/C12H22N2O2/c1-13(2)8-11-9-16-7-6-14(11)12(15)10-4-3-5-10/h10-11H,3-9H2,1-2H3
InChIKeyBLBCJWXGMWADEE-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclobutanecarboxylic acid, morpholide
CID 531899
2-Amino-4-methyl-1-(morpholin-4-YL)pentan-1-one
CID 21355341
1-[(5aS,9aS)-1-methyl-2,3,5,5a,6,7,9,9a-octahydropyrido[3,4-e][1,4]oxazepin-8-yl]-3-methylbutan-1-one
CID 110196088
(2S)-2-amino-4-methyl-1-(morpholin-4-yl)pentan-1-one
CID 15342503
2-Isocyano-3-methyl-1-morpholin-4-ylbutan-1-one
CID 85819169
2,6-Dimethylmorpholin-4-yl cyclobutyl ketone
CID 4113356
[(5AS,9AS)-1-(2-Methoxyethyl)octahydropyrido[3,4-E][1,4]oxazepin-8(1H)-YL](cyclobutyl)methanone
CID 110196093
Cyclobutyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone
CID 110197170
2-[4-(cyclobutylcarbonyl)-2-morpholinyl]-N,N-dimethylethanamine
CID 45171639
N-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 71856477
cyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone
CID 97040435
(3S)-N-cyclobutyl-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide
CID 164633204

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone?
The IUPAC name of cyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone (CID 71786028) is cyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone?
The canonical SMILES for cyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone is CN(C)CC1COCCN1C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone?
The InChIKey is BLBCJWXGMWADEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13(2)8-11-9-16-7-6-14(11)12(15)10-4-3-5-10/h10-11H,3-9H2,1-2H3.
What are the key properties of cyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone?
cyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71786028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).