5-(6-aminohexanoylamino)pentyl acetate

C13H26N2O3 — CID 88949115

IUPAC5-(6-aminohexanoylamino)pentyl acetate
SMILESCC(=O)OCCCCCNC(=O)CCCCCN
InChIInChI=1S/C13H26N2O3/c1-12(16)18-11-7-3-6-10-15-13(17)8-4-2-5-9-14/h2-11,14H2,1H3,(H,15,17)
InChIKeyGOELOQOTAVMIIX-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.36
Rot. Bonds11

About 5-(6-aminohexanoylamino)pentyl acetate

5-(6-aminohexanoylamino)pentyl acetate (PubChem CID 88949115) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-(6-aminohexanoylamino)pentyl acetate.

Molecular Properties

Compound Name5-(6-aminohexanoylamino)pentyl acetate
PubChem CID88949115
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name5-(6-aminohexanoylamino)pentyl acetate
SMILESCC(=O)OCCCCCNC(=O)CCCCCN
InChIInChI=1S/C13H26N2O3/c1-12(16)18-11-7-3-6-10-15-13(17)8-4-2-5-9-14/h2-11,14H2,1H3,(H,15,17)
InChIKeyGOELOQOTAVMIIX-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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Related Compounds

6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
butyl 6-[6-(6-aminohexanoylamino)hexanoylamino]hexanoate
CID 11258474
7-amino-N-(3-methoxypropyl)heptanamide
CID 43153320
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(9-aminononyl)nonanamide
CID 154091260
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658

Frequently Asked Questions

What is the IUPAC name of 5-(6-aminohexanoylamino)pentyl acetate?
The IUPAC name of 5-(6-aminohexanoylamino)pentyl acetate (CID 88949115) is 5-(6-aminohexanoylamino)pentyl acetate.
What is the SMILES notation for 5-(6-aminohexanoylamino)pentyl acetate?
The canonical SMILES for 5-(6-aminohexanoylamino)pentyl acetate is CC(=O)OCCCCCNC(=O)CCCCCN.
What is the InChIKey of 5-(6-aminohexanoylamino)pentyl acetate?
The InChIKey is GOELOQOTAVMIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(16)18-11-7-3-6-10-15-13(17)8-4-2-5-9-14/h2-11,14H2,1H3,(H,15,17).
What are the key properties of 5-(6-aminohexanoylamino)pentyl acetate?
5-(6-aminohexanoylamino)pentyl acetate 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 5-(6-aminohexanoylamino)pentyl acetate is sourced from PubChem (CID 88949115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).