2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone

C15H27NO — CID 104750162

IUPAC2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
SMILESCN(CC(=O)C1CCCC1)CC1CCCCC1
InChIInChI=1S/C15H27NO/c1-16(11-13-7-3-2-4-8-13)12-15(17)14-9-5-6-10-14/h13-14H,2-12H2,1H3
InChIKeyKQUUDKZPYOVYHV-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.26
Rot. Bonds5

About 2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone

2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone (PubChem CID 104750162) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
PubChem CID104750162
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
SMILESCN(CC(=O)C1CCCC1)CC1CCCCC1
InChIInChI=1S/C15H27NO/c1-16(11-13-7-3-2-4-8-13)12-15(17)14-9-5-6-10-14/h13-14H,2-12H2,1H3
InChIKeyKQUUDKZPYOVYHV-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclobutylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750664
1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
CID 113448833
2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone
CID 104750663
1-[cyclohexylmethyl(methyl)amino]-3-methylbutan-2-one
CID 79395083
1-cyclopentyl-2-[methyl(propyl)amino]ethanone
CID 104750008
2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide
CID 104750391
1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 104750812
1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 104750928
2-[cyclohexylmethyl(methyl)amino]-N-cyclopentyl-N-cyclopropylacetamide
CID 112841265
3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide
CID 106916459
1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone
CID 104749946
2-[cyclopentylmethyl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86869723

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone (CID 104750162) is 2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone is CN(CC(=O)C1CCCC1)CC1CCCCC1.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone?
The InChIKey is KQUUDKZPYOVYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-16(11-13-7-3-2-4-8-13)12-15(17)14-9-5-6-10-14/h13-14H,2-12H2,1H3.
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone?
2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone has a molecular weight of 237.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone is sourced from PubChem (CID 104750162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).