2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one

C11H21NO — CID 79046513

IUPAC2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one
SMILESC=C(CC)CC(=O)C(C)(C)N(C)C
InChIInChI=1S/C11H21NO/c1-7-9(2)8-10(13)11(3,4)12(5)6/h2,7-8H2,1,3-6H3
InChIKeySTMSSQNLSVIWOV-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.25
Rot. Bonds5

About 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one

2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one (PubChem CID 79046513) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one
PubChem CID79046513
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one
SMILESC=C(CC)CC(=O)C(C)(C)N(C)C
InChIInChI=1S/C11H21NO/c1-7-9(2)8-10(13)11(3,4)12(5)6/h2,7-8H2,1,3-6H3
InChIKeySTMSSQNLSVIWOV-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one?
The IUPAC name of 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one (CID 79046513) is 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one?
The canonical SMILES for 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one is C=C(CC)CC(=O)C(C)(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one?
The InChIKey is STMSSQNLSVIWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-9(2)8-10(13)11(3,4)12(5)6/h2,7-8H2,1,3-6H3.
What are the key properties of 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one?
2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one has a molecular weight of 183.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-one is sourced from PubChem (CID 79046513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).