cyclohexane;hexanediamide

C12H24N2O2 — CID 22340258

IUPACcyclohexane;hexanediamide
SMILESC1CCCCC1.NC(=O)CCCCC(N)=O
InChIInChI=1S/C6H12N2O2.C6H12/c7-5(9)3-1-2-4-6(8)10;1-2-4-6-5-3-1/h1-4H2,(H2,7,9)(H2,8,10);1-6H2
InChIKeyWQTAJNNGZMBQIE-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.86
Rot. Bonds5

About cyclohexane;hexanediamide

cyclohexane;hexanediamide (PubChem CID 22340258) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is cyclohexane;hexanediamide.

Molecular Properties

Compound Namecyclohexane;hexanediamide
PubChem CID22340258
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namecyclohexane;hexanediamide
SMILESC1CCCCC1.NC(=O)CCCCC(N)=O
InChIInChI=1S/C6H12N2O2.C6H12/c7-5(9)3-1-2-4-6(8)10;1-2-4-6-5-3-1/h1-4H2,(H2,7,9)(H2,8,10);1-6H2
InChIKeyWQTAJNNGZMBQIE-UHFFFAOYSA-N
XLogP1.86
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.86
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

10-amino-10-oxodecanoic acid;cyclohexane
CID 67918729
pentadecanediamide
CID 87429217
hexanediamide;hydrazine
CID 160978463
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
hexanediamide;hydrazine
CID 160854105
copper;tridecanediamide
CID 159780260
cyclohexanamine;hexanediamide;methane
CID 175540568
18-cyclohexyloctadecanamide
CID 70490920
8-(azonan-1-yl)-8-oxooctanamide
CID 54569305
hexanediamide;methoxymethane
CID 87287786

Frequently Asked Questions

What is the IUPAC name of cyclohexane;hexanediamide?
The IUPAC name of cyclohexane;hexanediamide (CID 22340258) is cyclohexane;hexanediamide.
What is the SMILES notation for cyclohexane;hexanediamide?
The canonical SMILES for cyclohexane;hexanediamide is C1CCCCC1.NC(=O)CCCCC(N)=O.
What is the InChIKey of cyclohexane;hexanediamide?
The InChIKey is WQTAJNNGZMBQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C6H12/c7-5(9)3-1-2-4-6(8)10;1-2-4-6-5-3-1/h1-4H2,(H2,7,9)(H2,8,10);1-6H2.
What are the key properties of cyclohexane;hexanediamide?
cyclohexane;hexanediamide has a molecular weight of 228.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;hexanediamide is sourced from PubChem (CID 22340258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).