N'-hexylhexanediamide

C12H24N2O2 — CID 3032893

IUPACN'-hexylhexanediamide
SMILESCCCCCCNC(=O)CCCCC(N)=O
InChIInChI=1S/C12H24N2O2/c1-2-3-4-7-10-14-12(16)9-6-5-8-11(13)15/h2-10H2,1H3,(H2,13,15)(H,14,16)
InChIKeyQDBQXOAICGSACD-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.73
Rot. Bonds10

About N'-hexylhexanediamide

N'-hexylhexanediamide (PubChem CID 3032893) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-hexylhexanediamide.

Molecular Properties

Compound NameN'-hexylhexanediamide
PubChem CID3032893
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN'-hexylhexanediamide
SMILESCCCCCCNC(=O)CCCCC(N)=O
InChIInChI=1S/C12H24N2O2/c1-2-3-4-7-10-14-12(16)9-6-5-8-11(13)15/h2-10H2,1H3,(H2,13,15)(H,14,16)
InChIKeyQDBQXOAICGSACD-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N'-hexylhexanediamide?
The IUPAC name of N'-hexylhexanediamide (CID 3032893) is N'-hexylhexanediamide.
What is the SMILES notation for N'-hexylhexanediamide?
The canonical SMILES for N'-hexylhexanediamide is CCCCCCNC(=O)CCCCC(N)=O.
What is the InChIKey of N'-hexylhexanediamide?
The InChIKey is QDBQXOAICGSACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-4-7-10-14-12(16)9-6-5-8-11(13)15/h2-10H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N'-hexylhexanediamide?
N'-hexylhexanediamide has a molecular weight of 228.34 g/mol, XLogP of 1.73, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexylhexanediamide is sourced from PubChem (CID 3032893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).