hexanediamide;propane-1,2-diol

C9H20N2O4 — CID 175159738

IUPAChexanediamide;propane-1,2-diol
SMILESCC(O)CO.NC(=O)CCCCC(N)=O
InChIInChI=1S/C6H12N2O2.C3H8O2/c7-5(9)3-1-2-4-6(8)10;1-3(5)2-4/h1-4H2,(H2,7,9)(H2,8,10);3-5H,2H2,1H3
InChIKeyXPRFRWDTNNADRQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP-1.12
Rot. Bonds6

About hexanediamide;propane-1,2-diol

hexanediamide;propane-1,2-diol (PubChem CID 175159738) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is hexanediamide;propane-1,2-diol.

Molecular Properties

Compound Namehexanediamide;propane-1,2-diol
PubChem CID175159738
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Namehexanediamide;propane-1,2-diol
SMILESCC(O)CO.NC(=O)CCCCC(N)=O
InChIInChI=1S/C6H12N2O2.C3H8O2/c7-5(9)3-1-2-4-6(8)10;1-3(5)2-4/h1-4H2,(H2,7,9)(H2,8,10);3-5H,2H2,1H3
InChIKeyXPRFRWDTNNADRQ-UHFFFAOYSA-N
XLogP-1.12
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

octadecanamide;bis(propan-2-ol)
CID 90014672
carbonic acid;(2S)-propane-1,2-diol
CID 70700046
hexanediamide;hydrazine
CID 160978463
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217
hexanediamide;hydrazine
CID 160854105
propane-1,2-diol
CID 23506506
10-hydroxy-7,9-dimethyldecanamide
CID 174403190
9-methyl-8-oxodecanamide
CID 168891746
21-methyldotetracontanediamide
CID 87333254

Frequently Asked Questions

What is the IUPAC name of hexanediamide;propane-1,2-diol?
The IUPAC name of hexanediamide;propane-1,2-diol (CID 175159738) is hexanediamide;propane-1,2-diol.
What is the SMILES notation for hexanediamide;propane-1,2-diol?
The canonical SMILES for hexanediamide;propane-1,2-diol is CC(O)CO.NC(=O)CCCCC(N)=O.
What is the InChIKey of hexanediamide;propane-1,2-diol?
The InChIKey is XPRFRWDTNNADRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C3H8O2/c7-5(9)3-1-2-4-6(8)10;1-3(5)2-4/h1-4H2,(H2,7,9)(H2,8,10);3-5H,2H2,1H3.
What are the key properties of hexanediamide;propane-1,2-diol?
hexanediamide;propane-1,2-diol has a molecular weight of 220.27 g/mol, XLogP of -1.12, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexanediamide;propane-1,2-diol is sourced from PubChem (CID 175159738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).