methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate

C16H29NO3 — CID 79581318

IUPACmethyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC1CCOC1CCCCC1
InChIInChI=1S/C16H29NO3/c1-17-16(15(18)19-2)11-6-7-13(16)10-12-20-14-8-4-3-5-9-14/h13-14,17H,3-12H2,1-2H3
InChIKeyGCGBAOKVSOOLQW-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.66
Rot. Bonds6

About methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate

methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79581318) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79581318
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namemethyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC1CCOC1CCCCC1
InChIInChI=1S/C16H29NO3/c1-17-16(15(18)19-2)11-6-7-13(16)10-12-20-14-8-4-3-5-9-14/h13-14,17H,3-12H2,1-2H3
InChIKeyGCGBAOKVSOOLQW-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
CID 79581622
Methyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
CID 79581939
Ethyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
CID 79582170
Methyl 1-(propylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
CID 79587025
Ethyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
CID 79587028
Methyl 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
CID 79587031
Methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate
CID 79587234
Methyl 1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate
CID 79587760
1-(Methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid
CID 79587761
Ethyl 1-(methylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate
CID 79588411
Ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 82005978
Methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 82006114

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate (CID 79581318) is methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCCC1CCOC1CCCCC1.
What is the InChIKey of methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is GCGBAOKVSOOLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-17-16(15(18)19-2)11-6-7-13(16)10-12-20-14-8-4-3-5-9-14/h13-14,17H,3-12H2,1-2H3.
What are the key properties of methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate?
methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79581318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).