ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate

C17H31NO3 — CID 106204218

IUPACethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCCC(OCCC2CC2)C1
InChIInChI=1S/C17H31NO3/c1-3-11-18-17(16(19)20-4-2)10-5-6-15(13-17)21-12-9-14-7-8-14/h14-15,18H,3-13H2,1-2H3
InChIKeyOXADXIDBKRNMKW-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.05
Rot. Bonds9

About ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate

ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate (PubChem CID 106204218) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate
PubChem CID106204218
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nameethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCCC(OCCC2CC2)C1
InChIInChI=1S/C17H31NO3/c1-3-11-18-17(16(19)20-4-2)10-5-6-15(13-17)21-12-9-14-7-8-14/h14-15,18H,3-13H2,1-2H3
InChIKeyOXADXIDBKRNMKW-UHFFFAOYSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
ethyl 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79644709
3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637723
ethyl 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79635563
3-(2-cyclobutylethoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 114157865
3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 106204251
ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79646705
3-pentoxy-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79637343
ethyl 1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylate
CID 79637628
ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 79628675
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229
ethyl 1-(propylamino)cycloheptane-1-carboxylate
CID 60796518

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate (CID 106204218) is ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate is CCCNC1(C(=O)OCC)CCCC(OCCC2CC2)C1.
What is the InChIKey of ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate?
The InChIKey is OXADXIDBKRNMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-3-11-18-17(16(19)20-4-2)10-5-6-15(13-17)21-12-9-14-7-8-14/h14-15,18H,3-13H2,1-2H3.
What are the key properties of ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate?
ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 106204218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).