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

C14H25NO2 — CID 103057733

IUPAC3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one
SMILESCN(CC1COCCC1=O)C1CCCCCC1
InChIInChI=1S/C14H25NO2/c1-15(13-6-4-2-3-5-7-13)10-12-11-17-9-8-14(12)16/h12-13H,2-11H2,1H3
InChIKeyUDFRUPJLRWDCTP-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.25
Rot. Bonds3

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

3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one (PubChem CID 103057733) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one.

Molecular Properties

Compound Name3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one
PubChem CID103057733
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one
SMILESCN(CC1COCCC1=O)C1CCCCCC1
InChIInChI=1S/C14H25NO2/c1-15(13-6-4-2-3-5-7-13)10-12-11-17-9-8-14(12)16/h12-13H,2-11H2,1H3
InChIKeyUDFRUPJLRWDCTP-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one
CID 103057634
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]oxan-4-one
CID 103057738
3-[(dimethylamino)methyl]oxan-4-one
CID 15050158
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one
CID 103057834
3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one
CID 103057758
3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one
CID 103058009
4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
CID 62612208
3-[[cyclopropyl(2-methoxyethyl)amino]methyl]oxan-4-one
CID 103057821
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-one
CID 103058171
3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]oxan-4-one
CID 103057771
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-one
CID 103057820
3-[[butyl(ethyl)amino]methyl]oxan-4-one
CID 103057614

Frequently Asked Questions

What is the IUPAC name of 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one?
The IUPAC name of 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one (CID 103057733) is 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one.
What is the SMILES notation for 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one?
The canonical SMILES for 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one is CN(CC1COCCC1=O)C1CCCCCC1.
What is the InChIKey of 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one?
The InChIKey is UDFRUPJLRWDCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-15(13-6-4-2-3-5-7-13)10-12-11-17-9-8-14(12)16/h12-13H,2-11H2,1H3.
What are the key properties of 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one?
3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one has a molecular weight of 239.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one is sourced from PubChem (CID 103057733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).