2-ethyl-6-(hexylamino)hexanoic acid

C14H29NO2 — CID 87649328

IUPAC2-ethyl-6-(hexylamino)hexanoic acid
SMILESCCCCCCNCCCCC(CC)C(=O)O
InChIInChI=1S/C14H29NO2/c1-3-5-6-8-11-15-12-9-7-10-13(4-2)14(16)17/h13,15H,3-12H2,1-2H3,(H,16,17)
InChIKeyQNPOEVXOXQEVOH-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.44
Rot. Bonds12

About 2-ethyl-6-(hexylamino)hexanoic acid

2-ethyl-6-(hexylamino)hexanoic acid (PubChem CID 87649328) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-ethyl-6-(hexylamino)hexanoic acid.

Molecular Properties

Compound Name2-ethyl-6-(hexylamino)hexanoic acid
PubChem CID87649328
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-ethyl-6-(hexylamino)hexanoic acid
SMILESCCCCCCNCCCCC(CC)C(=O)O
InChIInChI=1S/C14H29NO2/c1-3-5-6-8-11-15-12-9-7-10-13(4-2)14(16)17/h13,15H,3-12H2,1-2H3,(H,16,17)
InChIKeyQNPOEVXOXQEVOH-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-ethyl-6-(hexylamino)hexanoic acid?
The IUPAC name of 2-ethyl-6-(hexylamino)hexanoic acid (CID 87649328) is 2-ethyl-6-(hexylamino)hexanoic acid.
What is the SMILES notation for 2-ethyl-6-(hexylamino)hexanoic acid?
The canonical SMILES for 2-ethyl-6-(hexylamino)hexanoic acid is CCCCCCNCCCCC(CC)C(=O)O.
What is the InChIKey of 2-ethyl-6-(hexylamino)hexanoic acid?
The InChIKey is QNPOEVXOXQEVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-5-6-8-11-15-12-9-7-10-13(4-2)14(16)17/h13,15H,3-12H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-6-(hexylamino)hexanoic acid?
2-ethyl-6-(hexylamino)hexanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.44, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(hexylamino)hexanoic acid is sourced from PubChem (CID 87649328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).