ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate

C14H27NO2 — CID 143346476

IUPACethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CCCC(C)N)CCCCC1
InChIInChI=1S/C14H27NO2/c1-3-17-13(16)14(9-5-4-6-10-14)11-7-8-12(2)15/h12H,3-11,15H2,1-2H3
InChIKeyCZPYFLGJRMRJNO-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.02
Rot. Bonds6

About ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate

ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate (PubChem CID 143346476) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate
PubChem CID143346476
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CCCC(C)N)CCCCC1
InChIInChI=1S/C14H27NO2/c1-3-17-13(16)14(9-5-4-6-10-14)11-7-8-12(2)15/h12H,3-11,15H2,1-2H3
InChIKeyCZPYFLGJRMRJNO-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-butylcyclohexane-1-carboxylate
CID 22016316
ethyl 1-(3-bromopropyl)cyclobutane-1-carboxylate
CID 22954338
1-(3-aminobutyl)cyclohexane-1-carboxylic acid
CID 174943817
ethyl 1-(2-bromo-2-oxoethyl)cyclohexane-1-carboxylate
CID 141040381
heptyl 1-heptylcyclohexane-1-carboxylate
CID 118023619
ethyl 1-(bromomethyl)cyclobutane-1-carboxylate
CID 127263900
ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate
CID 142267765
ethyl 1-[2-(4-iodophenyl)ethyl]cyclohexane-1-carboxylate
CID 147282892
diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate
CID 15550872
tert-butyl 1-butylcyclohexane-1-carboxylate
CID 150671065
ethyl 1-[3-(4-phenylphenyl)propyl]cyclobutane-1-carboxylate
CID 159021181
ethyl 8-(3-iodopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 90037562

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate (CID 143346476) is ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate is CCOC(=O)C1(CCCC(C)N)CCCCC1.
What is the InChIKey of ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate?
The InChIKey is CZPYFLGJRMRJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-17-13(16)14(9-5-4-6-10-14)11-7-8-12(2)15/h12H,3-11,15H2,1-2H3.
What are the key properties of ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate?
ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 143346476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).