4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one

C17H32N2O — CID 79312395

IUPAC4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)CC2CCCN2CC)C1
InChIInChI=1S/C17H32N2O/c1-4-14-8-9-17(20)15(11-14)12-18(3)13-16-7-6-10-19(16)5-2/h14-16H,4-13H2,1-3H3
InChIKeyRITPCXLRJOCNJS-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds6

About 4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one

4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one (PubChem CID 79312395) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one
PubChem CID79312395
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)CC2CCCN2CC)C1
InChIInChI=1S/C17H32N2O/c1-4-14-8-9-17(20)15(11-14)12-18(3)13-16-7-6-10-19(16)5-2/h14-16H,4-13H2,1-3H3
InChIKeyRITPCXLRJOCNJS-UHFFFAOYSA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]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-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 63236972
4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one
CID 62612859
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]cyclopentan-1-one
CID 79319987
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 81074044
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 79319830
2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one
CID 130548344
2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 55094874
4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one
CID 55094782
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 62612233
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]cyclopentan-1-one
CID 79642708
4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one
CID 55094973
4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613388

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one (CID 79312395) is 4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN(C)CC2CCCN2CC)C1.
What is the InChIKey of 4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one?
The InChIKey is RITPCXLRJOCNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-14-8-9-17(20)15(11-14)12-18(3)13-16-7-6-10-19(16)5-2/h14-16H,4-13H2,1-3H3.
What are the key properties of 4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one?
4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one has a molecular weight of 280.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one is sourced from PubChem (CID 79312395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).