N,8,8-trimethyldecanamide

C13H27NO — CID 89097634

IUPACN,8,8-trimethyldecanamide
SMILESCCC(C)(C)CCCCCCC(=O)NC
InChIInChI=1S/C13H27NO/c1-5-13(2,3)11-9-7-6-8-10-12(15)14-4/h5-11H2,1-4H3,(H,14,15)
InChIKeyNCVVZHDABVOGML-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.51
Rot. Bonds8

About N,8,8-trimethyldecanamide

N,8,8-trimethyldecanamide (PubChem CID 89097634) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,8,8-trimethyldecanamide.

Molecular Properties

Compound NameN,8,8-trimethyldecanamide
PubChem CID89097634
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,8,8-trimethyldecanamide
SMILESCCC(C)(C)CCCCCCC(=O)NC
InChIInChI=1S/C13H27NO/c1-5-13(2,3)11-9-7-6-8-10-12(15)14-4/h5-11H2,1-4H3,(H,14,15)
InChIKeyNCVVZHDABVOGML-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethylheptanediamide
CID 15166696
N-methylheptacosanamide
CID 18175889
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
3,3,19,19-tetramethylhenicosane
CID 123780647
3,3,9,9-tetramethylundecane
CID 20661116
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
ethane;N-methyltetradecanamide
CID 153349961
N,7,7-trimethyl-6-oxooctanamide
CID 149454970
N-methyl-N'-sulfanylnonanediamide
CID 143363504
N-methyl-11-(methylamino)undecanamide
CID 59809097
CID 59445332
CID 59445332

Frequently Asked Questions

What is the IUPAC name of N,8,8-trimethyldecanamide?
The IUPAC name of N,8,8-trimethyldecanamide (CID 89097634) is N,8,8-trimethyldecanamide.
What is the SMILES notation for N,8,8-trimethyldecanamide?
The canonical SMILES for N,8,8-trimethyldecanamide is CCC(C)(C)CCCCCCC(=O)NC.
What is the InChIKey of N,8,8-trimethyldecanamide?
The InChIKey is NCVVZHDABVOGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-13(2,3)11-9-7-6-8-10-12(15)14-4/h5-11H2,1-4H3,(H,14,15).
What are the key properties of N,8,8-trimethyldecanamide?
N,8,8-trimethyldecanamide has a molecular weight of 213.36 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,8,8-trimethyldecanamide is sourced from PubChem (CID 89097634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).