2,2-diethyl-N,N',4,4-tetramethylpentanediamide

C13H26N2O2 — CID 123803156

IUPAC2,2-diethyl-N,N',4,4-tetramethylpentanediamide
SMILESCCC(CC)(CC(C)(C)C(=O)NC)C(=O)NC
InChIInChI=1S/C13H26N2O2/c1-7-13(8-2,11(17)15-6)9-12(3,4)10(16)14-5/h7-9H2,1-6H3,(H,14,16)(H,15,17)
InChIKeyDOJCJLPRPBNZDU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.70
Rot. Bonds6

About 2,2-diethyl-N,N',4,4-tetramethylpentanediamide

2,2-diethyl-N,N',4,4-tetramethylpentanediamide (PubChem CID 123803156) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2,2-diethyl-N,N',4,4-tetramethylpentanediamide.

Molecular Properties

Compound Name2,2-diethyl-N,N',4,4-tetramethylpentanediamide
PubChem CID123803156
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2,2-diethyl-N,N',4,4-tetramethylpentanediamide
SMILESCCC(CC)(CC(C)(C)C(=O)NC)C(=O)NC
InChIInChI=1S/C13H26N2O2/c1-7-13(8-2,11(17)15-6)9-12(3,4)10(16)14-5/h7-9H2,1-6H3,(H,14,16)(H,15,17)
InChIKeyDOJCJLPRPBNZDU-UHFFFAOYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N,2-dimethylbutanamide
CID 22213750
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4-acetamido-N,2,2,4-tetramethylpentanamide
CID 130219137
2,2-diethyl-N-methylhexadecanamide
CID 158971138
N,2,2-trimethylhexanamide
CID 87705334
N,2,2,4-tetramethyl-4-(4-methylphenyl)pentanamide
CID 174300532
3-amino-N,2,2-trimethylpropanamide;hydrochloride
CID 22364426
N,2,2-trimethyloctadecanamide
CID 158817445
2,2,4,4-tetramethyl-N-[2-(methylamino)-2-oxoethyl]pentanamide
CID 159588022
ethane;N,2,2,4-tetramethylpentanamide
CID 143818563
N,2-dimethyl-2-(propanoylamino)propanamide
CID 130249433
2-(aminomethyl)-N,2-dimethylbutanamide
CID 114290214

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N,N',4,4-tetramethylpentanediamide?
The IUPAC name of 2,2-diethyl-N,N',4,4-tetramethylpentanediamide (CID 123803156) is 2,2-diethyl-N,N',4,4-tetramethylpentanediamide.
What is the SMILES notation for 2,2-diethyl-N,N',4,4-tetramethylpentanediamide?
The canonical SMILES for 2,2-diethyl-N,N',4,4-tetramethylpentanediamide is CCC(CC)(CC(C)(C)C(=O)NC)C(=O)NC.
What is the InChIKey of 2,2-diethyl-N,N',4,4-tetramethylpentanediamide?
The InChIKey is DOJCJLPRPBNZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-7-13(8-2,11(17)15-6)9-12(3,4)10(16)14-5/h7-9H2,1-6H3,(H,14,16)(H,15,17).
What are the key properties of 2,2-diethyl-N,N',4,4-tetramethylpentanediamide?
2,2-diethyl-N,N',4,4-tetramethylpentanediamide has a molecular weight of 242.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N,N',4,4-tetramethylpentanediamide is sourced from PubChem (CID 123803156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).