methyl 6-(6-aminohexanoylamino)hexanoate

C13H26N2O3 — CID 14234240

IUPACmethyl 6-(6-aminohexanoylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)CCCCCN
InChIInChI=1S/C13H26N2O3/c1-18-13(17)9-5-3-7-11-15-12(16)8-4-2-6-10-14/h2-11,14H2,1H3,(H,15,16)
InChIKeyGCYYUBDZKZQKLD-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.36
Rot. Bonds11

About methyl 6-(6-aminohexanoylamino)hexanoate

methyl 6-(6-aminohexanoylamino)hexanoate (PubChem CID 14234240) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 6-(6-aminohexanoylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(6-aminohexanoylamino)hexanoate
PubChem CID14234240
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 6-(6-aminohexanoylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)CCCCCN
InChIInChI=1S/C13H26N2O3/c1-18-13(17)9-5-3-7-11-15-12(16)8-4-2-6-10-14/h2-11,14H2,1H3,(H,15,16)
InChIKeyGCYYUBDZKZQKLD-UHFFFAOYSA-N
XLogP1.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
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 6-(6-aminohexanoylamino)hexanoate?
The IUPAC name of methyl 6-(6-aminohexanoylamino)hexanoate (CID 14234240) is methyl 6-(6-aminohexanoylamino)hexanoate.
What is the SMILES notation for methyl 6-(6-aminohexanoylamino)hexanoate?
The canonical SMILES for methyl 6-(6-aminohexanoylamino)hexanoate is COC(=O)CCCCCNC(=O)CCCCCN.
What is the InChIKey of methyl 6-(6-aminohexanoylamino)hexanoate?
The InChIKey is GCYYUBDZKZQKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-18-13(17)9-5-3-7-11-15-12(16)8-4-2-6-10-14/h2-11,14H2,1H3,(H,15,16).
What are the key properties of methyl 6-(6-aminohexanoylamino)hexanoate?
methyl 6-(6-aminohexanoylamino)hexanoate has a molecular weight of 258.36 g/mol, XLogP of 1.36, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(6-aminohexanoylamino)hexanoate is sourced from PubChem (CID 14234240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).