ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate

C15H27NO2 — CID 64624874

IUPACethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate
SMILESCCOC(=O)CC1(N(C)C)CCCC(C2CC2)C1
InChIInChI=1S/C15H27NO2/c1-4-18-14(17)11-15(16(2)3)9-5-6-13(10-15)12-7-8-12/h12-13H,4-11H2,1-3H3
InChIKeyORDVZWQIZRNWRE-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.84
Rot. Bonds5

About ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate

ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate (PubChem CID 64624874) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate
PubChem CID64624874
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nameethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate
SMILESCCOC(=O)CC1(N(C)C)CCCC(C2CC2)C1
InChIInChI=1S/C15H27NO2/c1-4-18-14(17)11-15(16(2)3)9-5-6-13(10-15)12-7-8-12/h12-13H,4-11H2,1-3H3
InChIKeyORDVZWQIZRNWRE-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate
CID 65236795
ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate
CID 65087751
ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate
CID 83265878
ethyl 4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-3-hydroxybutanoate
CID 103243157
ethyl 2-[1-(dimethylamino)-2,4,4-trimethylcyclohexyl]acetate
CID 81315503
ethyl 2-[1-[methyl-[(3S)-oxolane-3-carbonyl]amino]cyclohexyl]acetate
CID 95776438
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 2-[(1S,3R)-1-(nitromethyl)-3-propylcyclohexyl]acetate
CID 10588190
ethyl 2-[4-cyclopentyl-4-(dimethylamino)-1-(nitromethyl)cyclohexyl]acetate
CID 118662341
1-(aminomethyl)-N-cyclopentyl-3-cyclopropyl-N-ethylcyclohexan-1-amine
CID 64624828
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-N-methylcycloheptanamine
CID 64622550
ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate
CID 64541600

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate (CID 64624874) is ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate is CCOC(=O)CC1(N(C)C)CCCC(C2CC2)C1.
What is the InChIKey of ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate?
The InChIKey is ORDVZWQIZRNWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-18-14(17)11-15(16(2)3)9-5-6-13(10-15)12-7-8-12/h12-13H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate?
ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate has a molecular weight of 253.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate is sourced from PubChem (CID 64624874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).