(3-ethylcyclohexyl) 5-aminohexanoate

C14H27NO2 — CID 82847639

IUPAC(3-ethylcyclohexyl) 5-aminohexanoate
SMILESCCC1CCCC(OC(=O)CCCC(C)N)C1
InChIInChI=1S/C14H27NO2/c1-3-12-7-5-8-13(10-12)17-14(16)9-4-6-11(2)15/h11-13H,3-10,15H2,1-2H3
InChIKeyYYAGDZVTAUAVPX-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.02
Rot. Bonds6

About (3-ethylcyclohexyl) 5-aminohexanoate

(3-ethylcyclohexyl) 5-aminohexanoate (PubChem CID 82847639) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (3-ethylcyclohexyl) 5-aminohexanoate.

Molecular Properties

Compound Name(3-ethylcyclohexyl) 5-aminohexanoate
PubChem CID82847639
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(3-ethylcyclohexyl) 5-aminohexanoate
SMILESCCC1CCCC(OC(=O)CCCC(C)N)C1
InChIInChI=1S/C14H27NO2/c1-3-12-7-5-8-13(10-12)17-14(16)9-4-6-11(2)15/h11-13H,3-10,15H2,1-2H3
InChIKeyYYAGDZVTAUAVPX-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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Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl) 5-aminohexanoate?
The IUPAC name of (3-ethylcyclohexyl) 5-aminohexanoate (CID 82847639) is (3-ethylcyclohexyl) 5-aminohexanoate.
What is the SMILES notation for (3-ethylcyclohexyl) 5-aminohexanoate?
The canonical SMILES for (3-ethylcyclohexyl) 5-aminohexanoate is CCC1CCCC(OC(=O)CCCC(C)N)C1.
What is the InChIKey of (3-ethylcyclohexyl) 5-aminohexanoate?
The InChIKey is YYAGDZVTAUAVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-12-7-5-8-13(10-12)17-14(16)9-4-6-11(2)15/h11-13H,3-10,15H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl) 5-aminohexanoate?
(3-ethylcyclohexyl) 5-aminohexanoate 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 (3-ethylcyclohexyl) 5-aminohexanoate is sourced from PubChem (CID 82847639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).