4-methyl-2-methylidenehexanamide

C8H15NO — CID 87496757

IUPAC4-methyl-2-methylidenehexanamide
SMILESC=C(CC(C)CC)C(N)=O
InChIInChI=1S/C8H15NO/c1-4-6(2)5-7(3)8(9)10/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyCESHHCBOZXORTA-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.46
Rot. Bonds4

About 4-methyl-2-methylidenehexanamide

4-methyl-2-methylidenehexanamide (PubChem CID 87496757) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-methyl-2-methylidenehexanamide.

Molecular Properties

Compound Name4-methyl-2-methylidenehexanamide
PubChem CID87496757
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-methyl-2-methylidenehexanamide
SMILESC=C(CC(C)CC)C(N)=O
InChIInChI=1S/C8H15NO/c1-4-6(2)5-7(3)8(9)10/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyCESHHCBOZXORTA-UHFFFAOYSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.46
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

3-methyl-2,5-dimethylidenehexanediamide
CID 19422323
ethyl (3R)-3-methylpentanoate
CID 7567160
(5R)-5-methylheptan-3-one
CID 6566014
3-methylpentanethioamide
CID 54078997
2-chloro-4-methylhex-1-ene
CID 15153636
2-methylbutyl 2-methylidenebutanoate
CID 57090354
3-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114875356
(2,5-dimethyl-3-methylideneheptan-2-yl)phosphane
CID 170214631
N,N-dimethylmethanamine;2-methylidenebutanamide
CID 87072562
2,6-dimethyl-4-methylideneoctane
CID 12567282
3,6-dimethyl-4-methylideneoctane
CID 91141716
carbonic acid;3-methylpentane
CID 173481374

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidenehexanamide?
The IUPAC name of 4-methyl-2-methylidenehexanamide (CID 87496757) is 4-methyl-2-methylidenehexanamide.
What is the SMILES notation for 4-methyl-2-methylidenehexanamide?
The canonical SMILES for 4-methyl-2-methylidenehexanamide is C=C(CC(C)CC)C(N)=O.
What is the InChIKey of 4-methyl-2-methylidenehexanamide?
The InChIKey is CESHHCBOZXORTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6(2)5-7(3)8(9)10/h6H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 4-methyl-2-methylidenehexanamide?
4-methyl-2-methylidenehexanamide has a molecular weight of 141.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidenehexanamide is sourced from PubChem (CID 87496757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).