7-(dimethylamino)-2-methylideneheptanoic acid

C10H19NO2 — CID 22247391

IUPAC7-(dimethylamino)-2-methylideneheptanoic acid
SMILESC=C(CCCCCN(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-9(10(12)13)7-5-4-6-8-11(2)3/h1,4-8H2,2-3H3,(H,12,13)
InChIKeyFFDGHXILQFAPRY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.75
Rot. Bonds7

About 7-(dimethylamino)-2-methylideneheptanoic acid

7-(dimethylamino)-2-methylideneheptanoic acid (PubChem CID 22247391) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 7-(dimethylamino)-2-methylideneheptanoic acid.

Molecular Properties

Compound Name7-(dimethylamino)-2-methylideneheptanoic acid
PubChem CID22247391
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name7-(dimethylamino)-2-methylideneheptanoic acid
SMILESC=C(CCCCCN(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-9(10(12)13)7-5-4-6-8-11(2)3/h1,4-8H2,2-3H3,(H,12,13)
InChIKeyFFDGHXILQFAPRY-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-2-methylideneheptanoic acid?
The IUPAC name of 7-(dimethylamino)-2-methylideneheptanoic acid (CID 22247391) is 7-(dimethylamino)-2-methylideneheptanoic acid.
What is the SMILES notation for 7-(dimethylamino)-2-methylideneheptanoic acid?
The canonical SMILES for 7-(dimethylamino)-2-methylideneheptanoic acid is C=C(CCCCCN(C)C)C(=O)O.
What is the InChIKey of 7-(dimethylamino)-2-methylideneheptanoic acid?
The InChIKey is FFDGHXILQFAPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(10(12)13)7-5-4-6-8-11(2)3/h1,4-8H2,2-3H3,(H,12,13).
What are the key properties of 7-(dimethylamino)-2-methylideneheptanoic acid?
7-(dimethylamino)-2-methylideneheptanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-2-methylideneheptanoic acid is sourced from PubChem (CID 22247391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).