methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate

C17H33NO3 — CID 79646979

IUPACmethyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate
SMILESCCCCC(CC)COC1CCC(NCC)(C(=O)OC)C1
InChIInChI=1S/C17H33NO3/c1-5-8-9-14(6-2)13-21-15-10-11-17(12-15,18-7-3)16(19)20-4/h14-15,18H,5-13H2,1-4H3
InChIKeyFILUKNDSBUSFGU-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.29
Rot. Bonds10

About methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate

methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate (PubChem CID 79646979) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate
PubChem CID79646979
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Namemethyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate
SMILESCCCCC(CC)COC1CCC(NCC)(C(=O)OC)C1
InChIInChI=1S/C17H33NO3/c1-5-8-9-14(6-2)13-21-15-10-11-17(12-15,18-7-3)16(19)20-4/h14-15,18H,5-13H2,1-4H3
InChIKeyFILUKNDSBUSFGU-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79646983
3-(2-ethylhexoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79638073
methyl 1-(ethylamino)-3-[3-(2-methoxyethoxy)propoxy]cyclopentane-1-carboxylate
CID 103404908
ethyl 1-(ethylamino)-3-hexoxycyclopentane-1-carboxylate
CID 79648423
methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79648776
methyl 1-(cyclopropylamino)-3-heptoxycyclopentane-1-carboxylate
CID 79646967
[3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640189
methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79648611
methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate
CID 114208559
methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79644428
methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 60787527
1-(ethylamino)-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxamide
CID 79648904

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate (CID 79646979) is methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate is CCCCC(CC)COC1CCC(NCC)(C(=O)OC)C1.
What is the InChIKey of methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate?
The InChIKey is FILUKNDSBUSFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-5-8-9-14(6-2)13-21-15-10-11-17(12-15,18-7-3)16(19)20-4/h14-15,18H,5-13H2,1-4H3.
What are the key properties of methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate?
methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate has a molecular weight of 299.45 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79646979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).