3,3,11,11-tetramethyltridecanediamide

C17H34N2O2 — CID 91353745

IUPAC3,3,11,11-tetramethyltridecanediamide
SMILESCC(C)(CCCCCCCC(C)(C)CC(N)=O)CC(N)=O
InChIInChI=1S/C17H34N2O2/c1-16(2,12-14(18)20)10-8-6-5-7-9-11-17(3,4)13-15(19)21/h5-13H2,1-4H3,(H2,18,20)(H2,19,21)
InChIKeyNKKNCABFNQBOGU-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.52
Rot. Bonds12

About 3,3,11,11-tetramethyltridecanediamide

3,3,11,11-tetramethyltridecanediamide (PubChem CID 91353745) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3,3,11,11-tetramethyltridecanediamide.

Molecular Properties

Compound Name3,3,11,11-tetramethyltridecanediamide
PubChem CID91353745
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name3,3,11,11-tetramethyltridecanediamide
SMILESCC(C)(CCCCCCCC(C)(C)CC(N)=O)CC(N)=O
InChIInChI=1S/C17H34N2O2/c1-16(2,12-14(18)20)10-8-6-5-7-9-11-17(3,4)13-15(19)21/h5-13H2,1-4H3,(H2,18,20)(H2,19,21)
InChIKeyNKKNCABFNQBOGU-UHFFFAOYSA-N
XLogP3.52
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.52
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

5-(dimethylamino)-3,3-dimethylpentanamide;ethane
CID 166075675
3,3-dimethylnonanoic acid
CID 5282685
3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
3,3-dimethyloctanoic acid
CID 20501381
3,3-dimethyloctanoyl chloride
CID 56622990
methyl 3,3-dimethylhenicosanoate
CID 575395
8-amino-3,3,5,5-tetramethyl-7-oxooctanamide
CID 91440643
3,3-dichlorobutanamide
CID 57160976
6-hydroxy-2,2-dimethylhexanamide
CID 21402976
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldecanamide
CID 22596903
7-methoxy-3,3-dimethylheptanoic acid
CID 104650863

Frequently Asked Questions

What is the IUPAC name of 3,3,11,11-tetramethyltridecanediamide?
The IUPAC name of 3,3,11,11-tetramethyltridecanediamide (CID 91353745) is 3,3,11,11-tetramethyltridecanediamide.
What is the SMILES notation for 3,3,11,11-tetramethyltridecanediamide?
The canonical SMILES for 3,3,11,11-tetramethyltridecanediamide is CC(C)(CCCCCCCC(C)(C)CC(N)=O)CC(N)=O.
What is the InChIKey of 3,3,11,11-tetramethyltridecanediamide?
The InChIKey is NKKNCABFNQBOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-16(2,12-14(18)20)10-8-6-5-7-9-11-17(3,4)13-15(19)21/h5-13H2,1-4H3,(H2,18,20)(H2,19,21).
What are the key properties of 3,3,11,11-tetramethyltridecanediamide?
3,3,11,11-tetramethyltridecanediamide has a molecular weight of 298.47 g/mol, XLogP of 3.52, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,11,11-tetramethyltridecanediamide is sourced from PubChem (CID 91353745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).