methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate

C17H33NO3 — CID 103284971

IUPACmethyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate
SMILESCCCC(C)COCCC1CCCC1(NCC)C(=O)OC
InChIInChI=1S/C17H33NO3/c1-5-8-14(3)13-21-12-10-15-9-7-11-17(15,18-6-2)16(19)20-4/h14-15,18H,5-13H2,1-4H3
InChIKeyYHJOSDOOYOBLTI-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.15
Rot. Bonds10

About methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate

methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate (PubChem CID 103284971) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate
PubChem CID103284971
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Namemethyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate
SMILESCCCC(C)COCCC1CCCC1(NCC)C(=O)OC
InChIInChI=1S/C17H33NO3/c1-5-8-14(3)13-21-12-10-15-9-7-11-17(15,18-6-2)16(19)20-4/h14-15,18H,5-13H2,1-4H3
InChIKeyYHJOSDOOYOBLTI-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate (CID 103284971) is methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate is CCCC(C)COCCC1CCCC1(NCC)C(=O)OC.
What is the InChIKey of methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate?
The InChIKey is YHJOSDOOYOBLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-5-8-14(3)13-21-12-10-15-9-7-11-17(15,18-6-2)16(19)20-4/h14-15,18H,5-13H2,1-4H3.
What are the key properties of methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate?
methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate has a molecular weight of 299.45 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103284971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).