4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one

C14H25NO2 — CID 62612208

IUPAC4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN(C)C2CCOCC2)C1
InChIInChI=1S/C14H25NO2/c1-11-3-4-14(16)12(9-11)10-15(2)13-5-7-17-8-6-13/h11-13H,3-10H2,1-2H3
InChIKeySIWIXVABVIBTNT-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.10
Rot. Bonds3

About 4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one

4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one (PubChem CID 62612208) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
PubChem CID62612208
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN(C)C2CCOCC2)C1
InChIInChI=1S/C14H25NO2/c1-11-3-4-14(16)12(9-11)10-15(2)13-5-7-17-8-6-13/h11-13H,3-10H2,1-2H3
InChIKeySIWIXVABVIBTNT-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-one
CID 62385899
3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one
CID 103057733
2-(diethylaminomethyl)-4-methylcyclohexan-1-one
CID 62611674
4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one
CID 55094782
3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one
CID 103057634
4-methyl-2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]cyclohexan-1-one
CID 62614034
4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 55094882
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]oxan-4-one
CID 103057738
2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
CID 79852982
4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613387
2-[[butan-2-yl(ethyl)amino]methyl]-4-methylcyclohexan-1-one
CID 62612028
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one
CID 62612853

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one (CID 62612208) is 4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one is CC1CCC(=O)C(CN(C)C2CCOCC2)C1.
What is the InChIKey of 4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one?
The InChIKey is SIWIXVABVIBTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-3-4-14(16)12(9-11)10-15(2)13-5-7-17-8-6-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one?
4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62612208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).