3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one

C11H22N2O2 — CID 103058009

IUPAC3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one
SMILESCN(C)CCN(C)CC1COCCC1=O
InChIInChI=1S/C11H22N2O2/c1-12(2)5-6-13(3)8-10-9-15-7-4-11(10)14/h10H,4-9H2,1-3H3
InChIKeyFCKDNTZYRMOJAK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.09
Rot. Bonds5

About 3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one

3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one (PubChem CID 103058009) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one.

Molecular Properties

Compound Name3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one
PubChem CID103058009
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one
SMILESCN(C)CCN(C)CC1COCCC1=O
InChIInChI=1S/C11H22N2O2/c1-12(2)5-6-13(3)8-10-9-15-7-4-11(10)14/h10H,4-9H2,1-3H3
InChIKeyFCKDNTZYRMOJAK-UHFFFAOYSA-N
XLogP0.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(dimethylamino)methyl]oxan-4-one
CID 15050158
3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]oxan-4-one
CID 103057771
3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one
CID 103057758
2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one
CID 63701207
3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one
CID 103057634
3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one
CID 103057733
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-one
CID 103057820
3-[[butyl(ethyl)amino]methyl]oxan-4-one
CID 103057614
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-one
CID 103058171
3-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-one
CID 103057852
3-[[cyclopropyl(2-methoxyethyl)amino]methyl]oxan-4-one
CID 103057821
3-[[2-ethoxyethyl(ethyl)amino]methyl]oxan-4-one
CID 103058008

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one?
The IUPAC name of 3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one (CID 103058009) is 3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one.
What is the SMILES notation for 3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one?
The canonical SMILES for 3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one is CN(C)CCN(C)CC1COCCC1=O.
What is the InChIKey of 3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one?
The InChIKey is FCKDNTZYRMOJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12(2)5-6-13(3)8-10-9-15-7-4-11(10)14/h10H,4-9H2,1-3H3.
What are the key properties of 3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one?
3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one has a molecular weight of 214.31 g/mol, XLogP of 0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one is sourced from PubChem (CID 103058009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).