N,N-diethyl-2,2-dimethylhexanamide

C12H25NO — CID 121008798

IUPACN,N-diethyl-2,2-dimethylhexanamide
SMILESCCCCC(C)(C)C(=O)N(CC)CC
InChIInChI=1S/C12H25NO/c1-6-9-10-12(4,5)11(14)13(7-2)8-3/h6-10H2,1-5H3
InChIKeyCFWGQLVLQCAMAU-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.07
Rot. Bonds6

About N,N-diethyl-2,2-dimethylhexanamide

N,N-diethyl-2,2-dimethylhexanamide (PubChem CID 121008798) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N,N-diethyl-2,2-dimethylhexanamide.

Molecular Properties

Compound NameN,N-diethyl-2,2-dimethylhexanamide
PubChem CID121008798
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN,N-diethyl-2,2-dimethylhexanamide
SMILESCCCCC(C)(C)C(=O)N(CC)CC
InChIInChI=1S/C12H25NO/c1-6-9-10-12(4,5)11(14)13(7-2)8-3/h6-10H2,1-5H3
InChIKeyCFWGQLVLQCAMAU-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-dimethylhexanamide?
The IUPAC name of N,N-diethyl-2,2-dimethylhexanamide (CID 121008798) is N,N-diethyl-2,2-dimethylhexanamide.
What is the SMILES notation for N,N-diethyl-2,2-dimethylhexanamide?
The canonical SMILES for N,N-diethyl-2,2-dimethylhexanamide is CCCCC(C)(C)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2,2-dimethylhexanamide?
The InChIKey is CFWGQLVLQCAMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-9-10-12(4,5)11(14)13(7-2)8-3/h6-10H2,1-5H3.
What are the key properties of N,N-diethyl-2,2-dimethylhexanamide?
N,N-diethyl-2,2-dimethylhexanamide has a molecular weight of 199.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-dimethylhexanamide is sourced from PubChem (CID 121008798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).