2-ethylhexyl 6-aminohexanoate

C14H29NO2 — CID 61302097

IUPAC2-ethylhexyl 6-aminohexanoate
SMILESCCCCC(CC)COC(=O)CCCCCN
InChIInChI=1S/C14H29NO2/c1-3-5-9-13(4-2)12-17-14(16)10-7-6-8-11-15/h13H,3-12,15H2,1-2H3
InChIKeyBWGPWVDETPHQPC-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.27
Rot. Bonds11

About 2-ethylhexyl 6-aminohexanoate

2-ethylhexyl 6-aminohexanoate (PubChem CID 61302097) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-ethylhexyl 6-aminohexanoate.

Molecular Properties

Compound Name2-ethylhexyl 6-aminohexanoate
PubChem CID61302097
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-ethylhexyl 6-aminohexanoate
SMILESCCCCC(CC)COC(=O)CCCCCN
InChIInChI=1S/C14H29NO2/c1-3-5-9-13(4-2)12-17-14(16)10-7-6-8-11-15/h13H,3-12,15H2,1-2H3
InChIKeyBWGPWVDETPHQPC-UHFFFAOYSA-N
XLogP3.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[(2R)-2-ethylhexyl] nonanedioate
CID 25113357
bis(2-ethylhexyl) nonanedioate
CID 7642
2-ethylhexyl 9-ethyloctadecanoate
CID 166859369
2-ethylhexyl 9-(octadecanoyloxymethyl)octadecanoate
CID 146576807
2-ethylhexadecyl octadecanoate
CID 23363420
2-ethylundecyl nonanoate
CID 176969573
7-O-(2-ethylhexyl) 1-O-(2-methylpropyl) heptanedioate
CID 91718206
bis(2-ethylhexyl) 3-ethyltetradecanedioate
CID 89440286
6-O-(2-ethylhexyl) 1-O-tetradecyl hexanedioate
CID 91713297
bis(2-ethylhexyl) decanedioate;dinonyl hexanedioate
CID 23616703
7-O-(2-ethylhexyl) 1-O-tetradecyl heptanedioate
CID 91717937
octadecakis(decanoic acid);bis(2-ethylhexyl decanoate)
CID 174052899

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 6-aminohexanoate?
The IUPAC name of 2-ethylhexyl 6-aminohexanoate (CID 61302097) is 2-ethylhexyl 6-aminohexanoate.
What is the SMILES notation for 2-ethylhexyl 6-aminohexanoate?
The canonical SMILES for 2-ethylhexyl 6-aminohexanoate is CCCCC(CC)COC(=O)CCCCCN.
What is the InChIKey of 2-ethylhexyl 6-aminohexanoate?
The InChIKey is BWGPWVDETPHQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-5-9-13(4-2)12-17-14(16)10-7-6-8-11-15/h13H,3-12,15H2,1-2H3.
What are the key properties of 2-ethylhexyl 6-aminohexanoate?
2-ethylhexyl 6-aminohexanoate has a molecular weight of 243.39 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 6-aminohexanoate is sourced from PubChem (CID 61302097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).