methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate

C17H31NO3 — CID 79644428

IUPACmethyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OC)CCC(OCC2CCCCC2)C1
InChIInChI=1S/C17H31NO3/c1-3-11-18-17(16(19)20-2)10-9-15(12-17)21-13-14-7-5-4-6-8-14/h14-15,18H,3-13H2,1-2H3
InChIKeyDMHMQURSNYTXKZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.05
Rot. Bonds7

About methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate

methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate (PubChem CID 79644428) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
PubChem CID79644428
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Namemethyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OC)CCC(OCC2CCCCC2)C1
InChIInChI=1S/C17H31NO3/c1-3-11-18-17(16(19)20-2)10-9-15(12-17)21-13-14-7-5-4-6-8-14/h14-15,18H,3-13H2,1-2H3
InChIKeyDMHMQURSNYTXKZ-UHFFFAOYSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79644429
methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate
CID 79635570
methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649126
ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79646705
methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate
CID 79648618
3-(cyclopentylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79653895
ethyl 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79644709
ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate
CID 106204218
3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637509
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
methyl 1-(ethylamino)-3-[3-(2-methoxyethoxy)propoxy]cyclopentane-1-carboxylate
CID 103404908
methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79647415

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate (CID 79644428) is methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate is CCCNC1(C(=O)OC)CCC(OCC2CCCCC2)C1.
What is the InChIKey of methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate?
The InChIKey is DMHMQURSNYTXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-3-11-18-17(16(19)20-2)10-9-15(12-17)21-13-14-7-5-4-6-8-14/h14-15,18H,3-13H2,1-2H3.
What are the key properties of methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate?
methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79644428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).