methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate

C17H29NO3 — CID 79635570

IUPACmethyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCCC(OCC2CCCC2)C1
InChIInChI=1S/C17H29NO3/c1-20-16(19)17(18-14-8-9-14)10-4-7-15(11-17)21-12-13-5-2-3-6-13/h13-15,18H,2-12H2,1H3
InChIKeyXWXIGNSODLILJT-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.80
Rot. Bonds6

About methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate

methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate (PubChem CID 79635570) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate
PubChem CID79635570
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Namemethyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCCC(OCC2CCCC2)C1
InChIInChI=1S/C17H29NO3/c1-20-16(19)17(18-14-8-9-14)10-4-7-15(11-17)21-12-13-5-2-3-6-13/h13-15,18H,2-12H2,1H3
InChIKeyXWXIGNSODLILJT-UHFFFAOYSA-N
XLogP2.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
CID 79637177
methyl 1-(cyclopropylamino)-3-(2,2-difluoroethoxy)cyclohexane-1-carboxylate
CID 82007452
methyl 1-(cyclopropylamino)-3-pentoxycyclohexane-1-carboxylate
CID 79637497
methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79644429
3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637509
methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79644428
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
methyl 1-(cyclopropylamino)-3-heptoxycyclopentane-1-carboxylate
CID 79646967
methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
CID 54892504
ethyl 1-(cyclopropylamino)-3-(2,2-difluoroethoxy)cyclohexane-1-carboxylate
CID 82006581
3-(cyclopentylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79653895
methyl 3-(2-cyclobutylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 106204585

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate (CID 79635570) is methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate is COC(=O)C1(NC2CC2)CCCC(OCC2CCCC2)C1.
What is the InChIKey of methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate?
The InChIKey is XWXIGNSODLILJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-20-16(19)17(18-14-8-9-14)10-4-7-15(11-17)21-12-13-5-2-3-6-13/h13-15,18H,2-12H2,1H3.
What are the key properties of methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate?
methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate has a molecular weight of 295.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79635570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).