6-amino-N-(5-amino-5-oxopentyl)hexanamide

C11H23N3O2 — CID 106235898

IUPAC6-amino-N-(5-amino-5-oxopentyl)hexanamide
SMILESNCCCCCC(=O)NCCCCC(N)=O
InChIInChI=1S/C11H23N3O2/c12-8-4-1-2-7-11(16)14-9-5-3-6-10(13)15/h1-9,12H2,(H2,13,15)(H,14,16)
InChIKeyXKHXKXHZLKNHDH-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.28
Rot. Bonds10

About 6-amino-N-(5-amino-5-oxopentyl)hexanamide

6-amino-N-(5-amino-5-oxopentyl)hexanamide (PubChem CID 106235898) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-amino-N-(5-amino-5-oxopentyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(5-amino-5-oxopentyl)hexanamide
PubChem CID106235898
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name6-amino-N-(5-amino-5-oxopentyl)hexanamide
SMILESNCCCCCC(=O)NCCCCC(N)=O
InChIInChI=1S/C11H23N3O2/c12-8-4-1-2-7-11(16)14-9-5-3-6-10(13)15/h1-9,12H2,(H2,13,15)(H,14,16)
InChIKeyXKHXKXHZLKNHDH-UHFFFAOYSA-N
XLogP0.28
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
6-amino-N-(4-sulfanylbutyl)hexanamide
CID 162689311
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(9-aminononyl)nonanamide
CID 154091260

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-amino-5-oxopentyl)hexanamide?
The IUPAC name of 6-amino-N-(5-amino-5-oxopentyl)hexanamide (CID 106235898) is 6-amino-N-(5-amino-5-oxopentyl)hexanamide.
What is the SMILES notation for 6-amino-N-(5-amino-5-oxopentyl)hexanamide?
The canonical SMILES for 6-amino-N-(5-amino-5-oxopentyl)hexanamide is NCCCCCC(=O)NCCCCC(N)=O.
What is the InChIKey of 6-amino-N-(5-amino-5-oxopentyl)hexanamide?
The InChIKey is XKHXKXHZLKNHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c12-8-4-1-2-7-11(16)14-9-5-3-6-10(13)15/h1-9,12H2,(H2,13,15)(H,14,16).
What are the key properties of 6-amino-N-(5-amino-5-oxopentyl)hexanamide?
6-amino-N-(5-amino-5-oxopentyl)hexanamide has a molecular weight of 229.32 g/mol, XLogP of 0.28, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-amino-5-oxopentyl)hexanamide is sourced from PubChem (CID 106235898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).