2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate

C14H27NO3 — CID 65240459

IUPAC2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate
SMILESCCCOCCOC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C14H27NO3/c1-3-9-17-10-11-18-13(16)12-14(15-2)7-5-4-6-8-14/h15H,3-12H2,1-2H3
InChIKeyFRBRFWNEGTUEIF-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.27
Rot. Bonds8

About 2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate

2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate (PubChem CID 65240459) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate.

Molecular Properties

Compound Name2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate
PubChem CID65240459
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate
SMILESCCCOCCOC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C14H27NO3/c1-3-9-17-10-11-18-13(16)12-14(15-2)7-5-4-6-8-14/h15H,3-12H2,1-2H3
InChIKeyFRBRFWNEGTUEIF-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenylpropyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240364
ethyl 2-[1-(propylamino)cyclohexyl]acetate
CID 65235367
ethyl 2-[4,4-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236678
ethyl 2-[4-(methylamino)oxepan-4-yl]acetate
CID 65236733
2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
CID 87832523
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575344
benzyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240649
cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240602
oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240412
propyl 2-(1-aminocyclobutyl)acetate
CID 79846380
ethyl 2-[4,4-dimethyl-1-(propylamino)cycloheptyl]acetate
CID 65235940

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate?
The IUPAC name of 2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate (CID 65240459) is 2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate.
What is the SMILES notation for 2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate?
The canonical SMILES for 2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate is CCCOCCOC(=O)CC1(NC)CCCCC1.
What is the InChIKey of 2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate?
The InChIKey is FRBRFWNEGTUEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-9-17-10-11-18-13(16)12-14(15-2)7-5-4-6-8-14/h15H,3-12H2,1-2H3.
What are the key properties of 2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate?
2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate has a molecular weight of 257.37 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate is sourced from PubChem (CID 65240459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).