4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one

C14H25NO2 — CID 62613043

IUPAC4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN(C)CC2CCCO2)C1
InChIInChI=1S/C14H25NO2/c1-11-5-6-14(16)12(8-11)9-15(2)10-13-4-3-7-17-13/h11-13H,3-10H2,1-2H3
InChIKeyPBJGFRJTVMIIQJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.10
Rot. Bonds4

About 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one

4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62613043) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one
PubChem CID62613043
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN(C)CC2CCCO2)C1
InChIInChI=1S/C14H25NO2/c1-11-5-6-14(16)12(8-11)9-15(2)10-13-4-3-7-17-13/h11-13H,3-10H2,1-2H3
InChIKeyPBJGFRJTVMIIQJ-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one (CID 62613043) is 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one is CC1CCC(=O)C(CN(C)CC2CCCO2)C1.
What is the InChIKey of 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is PBJGFRJTVMIIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-5-6-14(16)12(8-11)9-15(2)10-13-4-3-7-17-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one?
4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62613043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).