2-butan-2-yl-5-methylhexanamide

C11H23NO — CID 174491174

IUPAC2-butan-2-yl-5-methylhexanamide
SMILESCCC(C)C(CCC(C)C)C(N)=O
InChIInChI=1S/C11H23NO/c1-5-9(4)10(11(12)13)7-6-8(2)3/h8-10H,5-7H2,1-4H3,(H2,12,13)
InChIKeyHZYWJZBZUNIYEE-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.57
Rot. Bonds6

About 2-butan-2-yl-5-methylhexanamide

2-butan-2-yl-5-methylhexanamide (PubChem CID 174491174) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-butan-2-yl-5-methylhexanamide.

Molecular Properties

Compound Name2-butan-2-yl-5-methylhexanamide
PubChem CID174491174
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-butan-2-yl-5-methylhexanamide
SMILESCCC(C)C(CCC(C)C)C(N)=O
InChIInChI=1S/C11H23NO/c1-5-9(4)10(11(12)13)7-6-8(2)3/h8-10H,5-7H2,1-4H3,(H2,12,13)
InChIKeyHZYWJZBZUNIYEE-UHFFFAOYSA-N
XLogP2.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butan-2-ylbutanediamide
CID 87535883
(2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide
CID 58071164
(2R,3R)-2,3-dimethylpentanamide
CID 170847775
2-ethyl-3-(3-methylbutyl)butanedioic acid
CID 174966498
2,3-dimethylpentanamide;hydroxylamine
CID 88699485
(2S)-2-amino-3-methylpentanamide
CID 10290817
3-methyl-2-tetradecylhenicosanamide
CID 175222412
methyl (2S)-5-methyl-2-propan-2-ylhexanoate
CID 118199132
5-methyl-2-propan-2-ylhexaneperoxoic acid
CID 175397623
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
(2S)-2-ethyl-3,5-dimethylheptanamide
CID 143378708
methyl (2R,3R)-3-hydroxy-2-(3-methylbutyl)hexanoate
CID 11138520

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-methylhexanamide?
The IUPAC name of 2-butan-2-yl-5-methylhexanamide (CID 174491174) is 2-butan-2-yl-5-methylhexanamide.
What is the SMILES notation for 2-butan-2-yl-5-methylhexanamide?
The canonical SMILES for 2-butan-2-yl-5-methylhexanamide is CCC(C)C(CCC(C)C)C(N)=O.
What is the InChIKey of 2-butan-2-yl-5-methylhexanamide?
The InChIKey is HZYWJZBZUNIYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-9(4)10(11(12)13)7-6-8(2)3/h8-10H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of 2-butan-2-yl-5-methylhexanamide?
2-butan-2-yl-5-methylhexanamide has a molecular weight of 185.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-methylhexanamide is sourced from PubChem (CID 174491174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).