methane;2-methylbutanamide

C6H15NO — CID 158835184

IUPACmethane;2-methylbutanamide
SMILESC.CCC(C)C(N)=O
InChIInChI=1S/C5H11NO.CH4/c1-3-4(2)5(6)7;/h4H,3H2,1-2H3,(H2,6,7);1H4
InChIKeyIXNSITWAZAQUMQ-UHFFFAOYSA-N
MW117.19 g/mol
LogP1.15
Rot. Bonds2

About methane;2-methylbutanamide

methane;2-methylbutanamide (PubChem CID 158835184) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is methane;2-methylbutanamide.

Molecular Properties

Compound Namemethane;2-methylbutanamide
PubChem CID158835184
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Namemethane;2-methylbutanamide
SMILESC.CCC(C)C(N)=O
InChIInChI=1S/C5H11NO.CH4/c1-3-4(2)5(6)7;/h4H,3H2,1-2H3,(H2,6,7);1H4
InChIKeyIXNSITWAZAQUMQ-UHFFFAOYSA-N
XLogP1.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylbutanamide;oxaldehyde
CID 90898555
methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium
CID 160768810
methane;(2S)-2-methylbutanoic acid
CID 159302978
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide
CID 89449425
ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene
CID 144636496
5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
CID 58612932
4-methyl-3-oxohexanamide
CID 91421150
2-methylhexanamide
CID 2828737
2-methyl-4,5-dioxoheptanamide
CID 19880553
3-(ethylamino)-2-methylpropanamide
CID 43311981
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
(2R)-2-methyl-3-methylsulfanylpropanamide
CID 118633949

Frequently Asked Questions

What is the IUPAC name of methane;2-methylbutanamide?
The IUPAC name of methane;2-methylbutanamide (CID 158835184) is methane;2-methylbutanamide.
What is the SMILES notation for methane;2-methylbutanamide?
The canonical SMILES for methane;2-methylbutanamide is C.CCC(C)C(N)=O.
What is the InChIKey of methane;2-methylbutanamide?
The InChIKey is IXNSITWAZAQUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH4/c1-3-4(2)5(6)7;/h4H,3H2,1-2H3,(H2,6,7);1H4.
What are the key properties of methane;2-methylbutanamide?
methane;2-methylbutanamide has a molecular weight of 117.19 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylbutanamide is sourced from PubChem (CID 158835184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).