methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate

C17H31NO3 — CID 79644429

IUPACmethyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCC(OCC2CCCCC2)C1
InChIInChI=1S/C17H31NO3/c1-13(2)18-17(16(19)20-3)10-9-15(11-17)21-12-14-7-5-4-6-8-14/h13-15,18H,4-12H2,1-3H3
InChIKeyUTAMPSWBVPYHMR-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.05
Rot. Bonds6

About methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate

methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate (PubChem CID 79644429) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
PubChem CID79644429
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Namemethyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCC(OCC2CCCCC2)C1
InChIInChI=1S/C17H31NO3/c1-13(2)18-17(16(19)20-3)10-9-15(11-17)21-12-14-7-5-4-6-8-14/h13-15,18H,4-12H2,1-3H3
InChIKeyUTAMPSWBVPYHMR-UHFFFAOYSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

3-(cyclopentylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79653895
methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79644428
methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate
CID 79635570
methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79648776
methyl 3-(2-cyclobutylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 106204585
methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 106822542
ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79647207
3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637509
ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 103284950
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 104565358
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229
methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 62389126

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate (CID 79644429) is methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate is COC(=O)C1(NC(C)C)CCC(OCC2CCCCC2)C1.
What is the InChIKey of methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The InChIKey is UTAMPSWBVPYHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-13(2)18-17(16(19)20-3)10-9-15(11-17)21-12-14-7-5-4-6-8-14/h13-15,18H,4-12H2,1-3H3.
What are the key properties of methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79644429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).