2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one

C16H29NO — CID 55094874

IUPAC2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(CC)C2CCCC2)C1
InChIInChI=1S/C16H29NO/c1-3-13-9-10-16(18)14(11-13)12-17(4-2)15-7-5-6-8-15/h13-15H,3-12H2,1-2H3
InChIKeyVLQWGBVDOQXYIU-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.65
Rot. Bonds5

About 2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one

2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one (PubChem CID 55094874) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
PubChem CID55094874
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(CC)C2CCCC2)C1
InChIInChI=1S/C16H29NO/c1-3-13-9-10-16(18)14(11-13)12-17(4-2)15-7-5-6-8-15/h13-15H,3-12H2,1-2H3
InChIKeyVLQWGBVDOQXYIU-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one
CID 62613194
2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one
CID 62612009
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 62612029
4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one
CID 55094782
2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one
CID 62613017
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62614047
2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
CID 79417674
4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 62612035
4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 63964938
4-ethyl-2-[[ethyl(2-methoxyethyl)amino]methyl]cyclohexan-1-one
CID 62612886
4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one
CID 63483006
4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one
CID 63484095

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one?
The IUPAC name of 2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one (CID 55094874) is 2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one.
What is the SMILES notation for 2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one?
The canonical SMILES for 2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one is CCC1CCC(=O)C(CN(CC)C2CCCC2)C1.
What is the InChIKey of 2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one?
The InChIKey is VLQWGBVDOQXYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-13-9-10-16(18)14(11-13)12-17(4-2)15-7-5-6-8-15/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one?
2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one has a molecular weight of 251.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one is sourced from PubChem (CID 55094874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).