4-methyl-2-methylidene-3-propan-2-ylpentanamide

C10H19NO — CID 141368866

IUPAC4-methyl-2-methylidene-3-propan-2-ylpentanamide
SMILESC=C(C(N)=O)C(C(C)C)C(C)C
InChIInChI=1S/C10H19NO/c1-6(2)9(7(3)4)8(5)10(11)12/h6-7,9H,5H2,1-4H3,(H2,11,12)
InChIKeyMOYPDOQMYVHZLK-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.96
Rot. Bonds4

About 4-methyl-2-methylidene-3-propan-2-ylpentanamide

4-methyl-2-methylidene-3-propan-2-ylpentanamide (PubChem CID 141368866) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-methyl-2-methylidene-3-propan-2-ylpentanamide.

Molecular Properties

Compound Name4-methyl-2-methylidene-3-propan-2-ylpentanamide
PubChem CID141368866
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-methyl-2-methylidene-3-propan-2-ylpentanamide
SMILESC=C(C(N)=O)C(C(C)C)C(C)C
InChIInChI=1S/C10H19NO/c1-6(2)9(7(3)4)8(5)10(11)12/h6-7,9H,5H2,1-4H3,(H2,11,12)
InChIKeyMOYPDOQMYVHZLK-UHFFFAOYSA-N
XLogP1.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide
CID 11159459
3-methyl-2,5-dimethylidenehexanediamide
CID 19422323
ethane;3-methyl-2-methylidenehexanamide
CID 145466339
N,N-dimethylmethanamine;2,3-di(propan-2-yl)butanediamide
CID 174612648
3-carbamoyl-2-methylbut-3-ene-1-sulfonic acid
CID 87443837
2-aminoprop-2-enamide
CID 3332061
(2R)-2-aminopropanoic acid;2-methylprop-2-enamide
CID 175865115
2-carbamoylpent-1-en-3-yl(trimethyl)azanium
CID 18798178
3-(dibutylamino)-2-methylidenebutanamide
CID 19885813
3-hydroxy-4-methyl-2-oxopentanamide
CID 141452509
2,4-dimethyl-3-propan-2-ylpent-1-ene
CID 91388460
(2R,3S)-2,3-di(propan-2-yl)butanedioic acid
CID 95004211

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidene-3-propan-2-ylpentanamide?
The IUPAC name of 4-methyl-2-methylidene-3-propan-2-ylpentanamide (CID 141368866) is 4-methyl-2-methylidene-3-propan-2-ylpentanamide.
What is the SMILES notation for 4-methyl-2-methylidene-3-propan-2-ylpentanamide?
The canonical SMILES for 4-methyl-2-methylidene-3-propan-2-ylpentanamide is C=C(C(N)=O)C(C(C)C)C(C)C.
What is the InChIKey of 4-methyl-2-methylidene-3-propan-2-ylpentanamide?
The InChIKey is MOYPDOQMYVHZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6(2)9(7(3)4)8(5)10(11)12/h6-7,9H,5H2,1-4H3,(H2,11,12).
What are the key properties of 4-methyl-2-methylidene-3-propan-2-ylpentanamide?
4-methyl-2-methylidene-3-propan-2-ylpentanamide has a molecular weight of 169.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidene-3-propan-2-ylpentanamide is sourced from PubChem (CID 141368866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).