N,2,5-trimethylhexanamide

C9H19NO — CID 78065622

IUPACN,2,5-trimethylhexanamide
SMILESCNC(=O)C(C)CCC(C)C
InChIInChI=1S/C9H19NO/c1-7(2)5-6-8(3)9(11)10-4/h7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyQBQMWBLVYOKZOW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.80
Rot. Bonds4

About N,2,5-trimethylhexanamide

N,2,5-trimethylhexanamide (PubChem CID 78065622) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,2,5-trimethylhexanamide.

Molecular Properties

Compound NameN,2,5-trimethylhexanamide
PubChem CID78065622
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,2,5-trimethylhexanamide
SMILESCNC(=O)C(C)CCC(C)C
InChIInChI=1S/C9H19NO/c1-7(2)5-6-8(3)9(11)10-4/h7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyQBQMWBLVYOKZOW-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N,5-dimethylhexanamide
CID 116850475
N,2-dimethyl-5-oxopentanamide
CID 20693317
4-methyl-5-(methylamino)-5-oxopentanoyl fluoride
CID 20695613
(2S)-3-hydroxy-N,2-dimethylpropanamide
CID 58246856
N,2-dimethylpentanediamide;ethane
CID 145111022
N,2-dimethyl-6-(methylamino)hexanamide
CID 153084375
N,2-dimethyl-3-sulfanylpropanamide
CID 13075016
5-(dimethylamino)-N,2-dimethylpentanamide
CID 123779216
2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106916265
methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane
CID 145216603
(2S)-2-amino-N,6-dimethylheptanamide
CID 166554166
2,4-dimethylpentanamide;N,2,4-trimethylpentanamide
CID 143544198

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethylhexanamide?
The IUPAC name of N,2,5-trimethylhexanamide (CID 78065622) is N,2,5-trimethylhexanamide.
What is the SMILES notation for N,2,5-trimethylhexanamide?
The canonical SMILES for N,2,5-trimethylhexanamide is CNC(=O)C(C)CCC(C)C.
What is the InChIKey of N,2,5-trimethylhexanamide?
The InChIKey is QBQMWBLVYOKZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)5-6-8(3)9(11)10-4/h7-8H,5-6H2,1-4H3,(H,10,11).
What are the key properties of N,2,5-trimethylhexanamide?
N,2,5-trimethylhexanamide has a molecular weight of 157.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethylhexanamide is sourced from PubChem (CID 78065622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).