3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one

C11H19NO2 — CID 103057758

IUPAC3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one
SMILESCN(CC1CC1)CC1COCCC1=O
InChIInChI=1S/C11H19NO2/c1-12(6-9-2-3-9)7-10-8-14-5-4-11(10)13/h9-10H,2-8H2,1H3
InChIKeyXXDJIGSTHYFZKF-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.93
Rot. Bonds4

About 3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one

3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one (PubChem CID 103057758) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one.

Molecular Properties

Compound Name3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one
PubChem CID103057758
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one
SMILESCN(CC1CC1)CC1COCCC1=O
InChIInChI=1S/C11H19NO2/c1-12(6-9-2-3-9)7-10-8-14-5-4-11(10)13/h9-10H,2-8H2,1H3
InChIKeyXXDJIGSTHYFZKF-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(dimethylamino)methyl]oxan-4-one
CID 15050158
3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one
CID 103058009
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-[[(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-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]oxan-4-one
CID 103057738
2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 63712336
3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]oxan-4-one
CID 103057771
3-[[ethyl(2-methylbutyl)amino]methyl]oxan-4-one
CID 103058086
3-[[cyclopropyl(2-methoxyethyl)amino]methyl]oxan-4-one
CID 103057821

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one?
The IUPAC name of 3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one (CID 103057758) is 3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one.
What is the SMILES notation for 3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one?
The canonical SMILES for 3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one is CN(CC1CC1)CC1COCCC1=O.
What is the InChIKey of 3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one?
The InChIKey is XXDJIGSTHYFZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12(6-9-2-3-9)7-10-8-14-5-4-11(10)13/h9-10H,2-8H2,1H3.
What are the key properties of 3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one?
3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one has a molecular weight of 197.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one is sourced from PubChem (CID 103057758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).