2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone

C15H27NO — CID 116578763

IUPAC2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone
SMILESCCC1CCC(C(=O)CC2(N)CCCC2)CC1
InChIInChI=1S/C15H27NO/c1-2-12-5-7-13(8-6-12)14(17)11-15(16)9-3-4-10-15/h12-13H,2-11,16H2,1H3
InChIKeyBLRVZFGHHRVEJC-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.43
Rot. Bonds4

About 2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone

2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone (PubChem CID 116578763) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone
PubChem CID116578763
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone
SMILESCCC1CCC(C(=O)CC2(N)CCCC2)CC1
InChIInChI=1S/C15H27NO/c1-2-12-5-7-13(8-6-12)14(17)11-15(16)9-3-4-10-15/h12-13H,2-11,16H2,1H3
InChIKeyBLRVZFGHHRVEJC-UHFFFAOYSA-N
XLogP3.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclohexyl)-1-cyclopropylethanone
CID 116579120
2-(1-aminocyclobutyl)-1-cyclopentylethanone
CID 116591112
2-(1-aminocyclobutyl)-1-cycloheptylethanone
CID 116591382
2-(1-aminocyclopentyl)-N-(4-ethylcyclohexyl)acetamide
CID 64678625
2-(1-aminocyclopentyl)-1-(3-methylcyclohexyl)ethanone
CID 116578687
[1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone
CID 116600979
2-bromo-1-(4-ethylcyclohexyl)ethanone
CID 130606092
1-amino-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 54880967
2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone
CID 104689647
2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone
CID 114224600
1-(4-ethylcyclohexyl)-3-methylbutan-1-one
CID 64773765
1-(4-ethylcyclohexyl)-2-methylsulfanylethanone
CID 64775004

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone (CID 116578763) is 2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone is CCC1CCC(C(=O)CC2(N)CCCC2)CC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone?
The InChIKey is BLRVZFGHHRVEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-12-5-7-13(8-6-12)14(17)11-15(16)9-3-4-10-15/h12-13H,2-11,16H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone?
2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone has a molecular weight of 237.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone is sourced from PubChem (CID 116578763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).