ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate

C14H27NO3 — CID 79588199

IUPACethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate
SMILESCCCOCCC1CCCC1(NC)C(=O)OCC
InChIInChI=1S/C14H27NO3/c1-4-10-17-11-8-12-7-6-9-14(12,15-3)13(16)18-5-2/h12,15H,4-11H2,1-3H3
InChIKeyCFCBCPVGYRYMPL-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.12
Rot. Bonds8

About ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate

ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate (PubChem CID 79588199) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate
PubChem CID79588199
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate
SMILESCCCOCCC1CCCC1(NC)C(=O)OCC
InChIInChI=1S/C14H27NO3/c1-4-10-17-11-8-12-7-6-9-14(12,15-3)13(16)18-5-2/h12,15H,4-11H2,1-3H3
InChIKeyCFCBCPVGYRYMPL-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(3,3-dimethylbutoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79587367
ethyl 1-(methylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylate
CID 79571539
methyl 1-(methylamino)-2-(2-pentoxyethyl)cyclopentane-1-carboxylate
CID 79587746
ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate
CID 79567356
2-[2-(2-cyclopropylethoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106204227
ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79577573
ethyl 2-methyl-1-(methylamino)cyclopentane-1-carboxylate
CID 65045182
methyl 2-[2-(3-methoxy-3-methylbutoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 106666862
ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate
CID 79581836
2-(2-butoxyethyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79586499
1-(methylamino)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 79581314
1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxamide
CID 106448811

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate (CID 79588199) is ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate is CCCOCCC1CCCC1(NC)C(=O)OCC.
What is the InChIKey of ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate?
The InChIKey is CFCBCPVGYRYMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-10-17-11-8-12-7-6-9-14(12,15-3)13(16)18-5-2/h12,15H,4-11H2,1-3H3.
What are the key properties of ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate?
ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79588199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).