hexanediamide

C6H12N2O2 — CID 12364

IUPAChexanediamide
SMILESNC(=O)CCCCC(N)=O
InChIInChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
InChIKeyGVNWZKBFMFUVNX-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.48
Rot. Bonds5

About hexanediamide

hexanediamide (PubChem CID 12364) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is hexanediamide.

Molecular Properties

Compound Namehexanediamide
PubChem CID12364
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namehexanediamide
SMILESNC(=O)CCCCC(N)=O
InChIInChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
InChIKeyGVNWZKBFMFUVNX-UHFFFAOYSA-N
XLogP-0.48
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.48
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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Related Compounds

Hexanamide
CID 12332
Heptanamide
CID 136449
Sebacamide
CID 72882
Hexanamide, 6-amino-
CID 67798
Nonanediamide
CID 252601
Pentanediamide
CID 230227
N,N'-dihydroxyhexanediamide
CID 303190
5-Cyanovaleramide
CID 11768576
Hexanamide, 6-fluoro-
CID 12667
Pimelamide
CID 264639
Dodecanediamide
CID 80364
Octanediamide
CID 258342

Frequently Asked Questions

What is the IUPAC name of hexanediamide?
The IUPAC name of hexanediamide (CID 12364) is hexanediamide.
What is the SMILES notation for hexanediamide?
The canonical SMILES for hexanediamide is NC(=O)CCCCC(N)=O.
What is the InChIKey of hexanediamide?
The InChIKey is GVNWZKBFMFUVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10).
What are the key properties of hexanediamide?
hexanediamide has a molecular weight of 144.17 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexanediamide is sourced from PubChem (CID 12364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).