5,5-dimethyl-2-methylidenehexanamide

C9H17NO — CID 118453407

IUPAC5,5-dimethyl-2-methylidenehexanamide
SMILESC=C(CCC(C)(C)C)C(N)=O
InChIInChI=1S/C9H17NO/c1-7(8(10)11)5-6-9(2,3)4/h1,5-6H2,2-4H3,(H2,10,11)
InChIKeyZSKDTMMULZBKMM-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.85
Rot. Bonds3

About 5,5-dimethyl-2-methylidenehexanamide

5,5-dimethyl-2-methylidenehexanamide (PubChem CID 118453407) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5,5-dimethyl-2-methylidenehexanamide.

Molecular Properties

Compound Name5,5-dimethyl-2-methylidenehexanamide
PubChem CID118453407
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5,5-dimethyl-2-methylidenehexanamide
SMILESC=C(CCC(C)(C)C)C(N)=O
InChIInChI=1S/C9H17NO/c1-7(8(10)11)5-6-9(2,3)4/h1,5-6H2,2-4H3,(H2,10,11)
InChIKeyZSKDTMMULZBKMM-UHFFFAOYSA-N
XLogP1.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.85
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

4,4-dimethylpentanamide;hydrochloride
CID 141202343
5,7,7-trimethyl-2-methylideneoctanamide
CID 135222776
bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride
CID 173263480
2,13-dimethylidenetetradecanediamide
CID 87303548
2,9-dimethylidenedecanediamide
CID 22052797
2-methylidenehexanediamide
CID 22482529
3,3,5,5-tetramethyl-2-methylidenehexanamide
CID 19097995
2-methylidenetridecanamide
CID 22648504
2-methylidenepentadecanamide
CID 57359889
4-(dimethylamino)-2-methylidenebutanamide;hydrochloride
CID 87438764
2-(aminomethyl)prop-2-enamide
CID 19089601
5-(dimethylamino)-2-methylidenepentanamide
CID 18359659

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-methylidenehexanamide?
The IUPAC name of 5,5-dimethyl-2-methylidenehexanamide (CID 118453407) is 5,5-dimethyl-2-methylidenehexanamide.
What is the SMILES notation for 5,5-dimethyl-2-methylidenehexanamide?
The canonical SMILES for 5,5-dimethyl-2-methylidenehexanamide is C=C(CCC(C)(C)C)C(N)=O.
What is the InChIKey of 5,5-dimethyl-2-methylidenehexanamide?
The InChIKey is ZSKDTMMULZBKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(8(10)11)5-6-9(2,3)4/h1,5-6H2,2-4H3,(H2,10,11).
What are the key properties of 5,5-dimethyl-2-methylidenehexanamide?
5,5-dimethyl-2-methylidenehexanamide has a molecular weight of 155.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-methylidenehexanamide is sourced from PubChem (CID 118453407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).