15-(6-aminohexanoylamino)pentadecanoic acid

C21H42N2O3 — CID 170598253

IUPAC15-(6-aminohexanoylamino)pentadecanoic acid
SMILESNCCCCCC(=O)NCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C21H42N2O3/c22-18-14-11-12-16-20(24)23-19-15-10-8-6-4-2-1-3-5-7-9-13-17-21(25)26/h1-19,22H2,(H,23,24)(H,25,26)
InChIKeyHOINAOMQPDBONQ-UHFFFAOYSA-N
MW370.58 g/mol
LogP4.78
Rot. Bonds20

About 15-(6-aminohexanoylamino)pentadecanoic acid

15-(6-aminohexanoylamino)pentadecanoic acid (PubChem CID 170598253) has the molecular formula C21H42N2O3 and a molecular weight of 370.58 g/mol. Its IUPAC name is 15-(6-aminohexanoylamino)pentadecanoic acid.

Molecular Properties

Compound Name15-(6-aminohexanoylamino)pentadecanoic acid
PubChem CID170598253
Molecular FormulaC21H42N2O3
Molecular Weight370.58 g/mol
Exact Mass370.32
IUPAC Name15-(6-aminohexanoylamino)pentadecanoic acid
SMILESNCCCCCC(=O)NCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C21H42N2O3/c22-18-14-11-12-16-20(24)23-19-15-10-8-6-4-2-1-3-5-7-9-13-17-21(25)26/h1-19,22H2,(H,23,24)(H,25,26)
InChIKeyHOINAOMQPDBONQ-UHFFFAOYSA-N
XLogP4.78
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 54.78
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

8-(8-aminooctanoylamino)octanoic acid
CID 16654921
6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
11-(3-aminopropanoylamino)undecanoic acid
CID 170417456
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288

Frequently Asked Questions

What is the IUPAC name of 15-(6-aminohexanoylamino)pentadecanoic acid?
The IUPAC name of 15-(6-aminohexanoylamino)pentadecanoic acid (CID 170598253) is 15-(6-aminohexanoylamino)pentadecanoic acid.
What is the SMILES notation for 15-(6-aminohexanoylamino)pentadecanoic acid?
The canonical SMILES for 15-(6-aminohexanoylamino)pentadecanoic acid is NCCCCCC(=O)NCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 15-(6-aminohexanoylamino)pentadecanoic acid?
The InChIKey is HOINAOMQPDBONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O3/c22-18-14-11-12-16-20(24)23-19-15-10-8-6-4-2-1-3-5-7-9-13-17-21(25)26/h1-19,22H2,(H,23,24)(H,25,26).
What are the key properties of 15-(6-aminohexanoylamino)pentadecanoic acid?
15-(6-aminohexanoylamino)pentadecanoic acid has a molecular weight of 370.58 g/mol, XLogP of 4.78, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(6-aminohexanoylamino)pentadecanoic acid is sourced from PubChem (CID 170598253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).