6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one

C15H29NO2 — CID 79852372

IUPAC6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
SMILESCCOCCN(CC)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C15H29NO2/c1-5-16(10-11-18-6-2)12-13-8-7-9-15(3,4)14(13)17/h13H,5-12H2,1-4H3
InChIKeyUTVXZUBDXRLCJC-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds7

About 6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one

6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 79852372) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID79852372
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
SMILESCCOCCN(CC)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C15H29NO2/c1-5-16(10-11-18-6-2)12-13-8-7-9-15(3,4)14(13)17/h13H,5-12H2,1-4H3
InChIKeyUTVXZUBDXRLCJC-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867026
2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one
CID 63692304
2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one
CID 63690886
5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866669
6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853156
2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
CID 79852451
6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853251
6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 104554486
2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one
CID 79852813
3-[[2-ethoxyethyl(ethyl)amino]methyl]oxan-4-one
CID 103058008
2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
CID 112664506
2-ethoxy-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 63696688

Frequently Asked Questions

What is the IUPAC name of 6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one (CID 79852372) is 6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one is CCOCCN(CC)CC1CCCC(C)(C)C1=O.
What is the InChIKey of 6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is UTVXZUBDXRLCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-16(10-11-18-6-2)12-13-8-7-9-15(3,4)14(13)17/h13H,5-12H2,1-4H3.
What are the key properties of 6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 255.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 79852372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).