ethane;N,N',2,2,4-pentamethylhexanediamide

C13H28N2O2 — CID 156649253

IUPACethane;N,N',2,2,4-pentamethylhexanediamide
SMILESCC.CNC(=O)CC(C)CC(C)(C)C(=O)NC
InChIInChI=1S/C11H22N2O2.C2H6/c1-8(6-9(14)12-4)7-11(2,3)10(15)13-5;1-2/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15);1-2H3
InChIKeyBOCQMZZIZOXKMP-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.95
Rot. Bonds5

About ethane;N,N',2,2,4-pentamethylhexanediamide

ethane;N,N',2,2,4-pentamethylhexanediamide (PubChem CID 156649253) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is ethane;N,N',2,2,4-pentamethylhexanediamide.

Molecular Properties

Compound Nameethane;N,N',2,2,4-pentamethylhexanediamide
PubChem CID156649253
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nameethane;N,N',2,2,4-pentamethylhexanediamide
SMILESCC.CNC(=O)CC(C)CC(C)(C)C(=O)NC
InChIInChI=1S/C11H22N2O2.C2H6/c1-8(6-9(14)12-4)7-11(2,3)10(15)13-5;1-2/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15);1-2H3
InChIKeyBOCQMZZIZOXKMP-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N,N',2,2,4-pentamethylhexanediamide?
The IUPAC name of ethane;N,N',2,2,4-pentamethylhexanediamide (CID 156649253) is ethane;N,N',2,2,4-pentamethylhexanediamide.
What is the SMILES notation for ethane;N,N',2,2,4-pentamethylhexanediamide?
The canonical SMILES for ethane;N,N',2,2,4-pentamethylhexanediamide is CC.CNC(=O)CC(C)CC(C)(C)C(=O)NC.
What is the InChIKey of ethane;N,N',2,2,4-pentamethylhexanediamide?
The InChIKey is BOCQMZZIZOXKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C2H6/c1-8(6-9(14)12-4)7-11(2,3)10(15)13-5;1-2/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15);1-2H3.
What are the key properties of ethane;N,N',2,2,4-pentamethylhexanediamide?
ethane;N,N',2,2,4-pentamethylhexanediamide has a molecular weight of 244.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N',2,2,4-pentamethylhexanediamide is sourced from PubChem (CID 156649253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).