6-(dibutylamino)-2-methylidenehexanoic acid

C15H29NO2 — CID 18414867

IUPAC6-(dibutylamino)-2-methylidenehexanoic acid
SMILESC=C(CCCCN(CCCC)CCCC)C(=O)O
InChIInChI=1S/C15H29NO2/c1-4-6-11-16(12-7-5-2)13-9-8-10-14(3)15(17)18/h3-13H2,1-2H3,(H,17,18)
InChIKeyLYASCQIWGYQAQT-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.70
Rot. Bonds12

About 6-(dibutylamino)-2-methylidenehexanoic acid

6-(dibutylamino)-2-methylidenehexanoic acid (PubChem CID 18414867) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 6-(dibutylamino)-2-methylidenehexanoic acid.

Molecular Properties

Compound Name6-(dibutylamino)-2-methylidenehexanoic acid
PubChem CID18414867
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name6-(dibutylamino)-2-methylidenehexanoic acid
SMILESC=C(CCCCN(CCCC)CCCC)C(=O)O
InChIInChI=1S/C15H29NO2/c1-4-6-11-16(12-7-5-2)13-9-8-10-14(3)15(17)18/h3-13H2,1-2H3,(H,17,18)
InChIKeyLYASCQIWGYQAQT-UHFFFAOYSA-N
XLogP3.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.70
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 6-(dibutylamino)-2-methylidenehexanoic acid?
The IUPAC name of 6-(dibutylamino)-2-methylidenehexanoic acid (CID 18414867) is 6-(dibutylamino)-2-methylidenehexanoic acid.
What is the SMILES notation for 6-(dibutylamino)-2-methylidenehexanoic acid?
The canonical SMILES for 6-(dibutylamino)-2-methylidenehexanoic acid is C=C(CCCCN(CCCC)CCCC)C(=O)O.
What is the InChIKey of 6-(dibutylamino)-2-methylidenehexanoic acid?
The InChIKey is LYASCQIWGYQAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-6-11-16(12-7-5-2)13-9-8-10-14(3)15(17)18/h3-13H2,1-2H3,(H,17,18).
What are the key properties of 6-(dibutylamino)-2-methylidenehexanoic acid?
6-(dibutylamino)-2-methylidenehexanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.70, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibutylamino)-2-methylidenehexanoic acid is sourced from PubChem (CID 18414867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).