6-(5-aminopentanoylamino)hexanoic acid;ethane

C13H28N2O3 — CID 144538701

IUPAC6-(5-aminopentanoylamino)hexanoic acid;ethane
SMILESCC.NCCCCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H22N2O3.C2H6/c12-8-4-3-6-10(14)13-9-5-1-2-7-11(15)16;1-2/h1-9,12H2,(H,13,14)(H,15,16);1-2H3
InChIKeyHYCHYLRQZZKAOE-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.90
Rot. Bonds10

About 6-(5-aminopentanoylamino)hexanoic acid;ethane

6-(5-aminopentanoylamino)hexanoic acid;ethane (PubChem CID 144538701) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-(5-aminopentanoylamino)hexanoic acid;ethane.

Molecular Properties

Compound Name6-(5-aminopentanoylamino)hexanoic acid;ethane
PubChem CID144538701
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name6-(5-aminopentanoylamino)hexanoic acid;ethane
SMILESCC.NCCCCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H22N2O3.C2H6/c12-8-4-3-6-10(14)13-9-5-1-2-7-11(15)16;1-2/h1-9,12H2,(H,13,14)(H,15,16);1-2H3
InChIKeyHYCHYLRQZZKAOE-UHFFFAOYSA-N
XLogP1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.90
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

11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
11-(3-aminopropanoylamino)undecanoic acid;ethane
CID 170598343
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
N'-heptyl-N-methylhexanediamide;hexane-1,6-diamine;hexanedioic acid;hydride
CID 161372302
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762

Frequently Asked Questions

What is the IUPAC name of 6-(5-aminopentanoylamino)hexanoic acid;ethane?
The IUPAC name of 6-(5-aminopentanoylamino)hexanoic acid;ethane (CID 144538701) is 6-(5-aminopentanoylamino)hexanoic acid;ethane.
What is the SMILES notation for 6-(5-aminopentanoylamino)hexanoic acid;ethane?
The canonical SMILES for 6-(5-aminopentanoylamino)hexanoic acid;ethane is CC.NCCCCC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-(5-aminopentanoylamino)hexanoic acid;ethane?
The InChIKey is HYCHYLRQZZKAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3.C2H6/c12-8-4-3-6-10(14)13-9-5-1-2-7-11(15)16;1-2/h1-9,12H2,(H,13,14)(H,15,16);1-2H3.
What are the key properties of 6-(5-aminopentanoylamino)hexanoic acid;ethane?
6-(5-aminopentanoylamino)hexanoic acid;ethane has a molecular weight of 260.38 g/mol, XLogP of 1.90, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-aminopentanoylamino)hexanoic acid;ethane is sourced from PubChem (CID 144538701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).