6-(dipropylamino)-2-methylidenehexanoic acid

C13H25NO2 — CID 22645768

IUPAC6-(dipropylamino)-2-methylidenehexanoic acid
SMILESC=C(CCCCN(CCC)CCC)C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-9-14(10-5-2)11-7-6-8-12(3)13(15)16/h3-11H2,1-2H3,(H,15,16)
InChIKeyWSIRVHJZAHTMIM-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.92
Rot. Bonds10

About 6-(dipropylamino)-2-methylidenehexanoic acid

6-(dipropylamino)-2-methylidenehexanoic acid (PubChem CID 22645768) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 6-(dipropylamino)-2-methylidenehexanoic acid.

Molecular Properties

Compound Name6-(dipropylamino)-2-methylidenehexanoic acid
PubChem CID22645768
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name6-(dipropylamino)-2-methylidenehexanoic acid
SMILESC=C(CCCCN(CCC)CCC)C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-9-14(10-5-2)11-7-6-8-12(3)13(15)16/h3-11H2,1-2H3,(H,15,16)
InChIKeyWSIRVHJZAHTMIM-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.92
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'}

Analyze 6-(dipropylamino)-2-methylidenehexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)-2-methylidenehexanoic acid?
The IUPAC name of 6-(dipropylamino)-2-methylidenehexanoic acid (CID 22645768) is 6-(dipropylamino)-2-methylidenehexanoic acid.
What is the SMILES notation for 6-(dipropylamino)-2-methylidenehexanoic acid?
The canonical SMILES for 6-(dipropylamino)-2-methylidenehexanoic acid is C=C(CCCCN(CCC)CCC)C(=O)O.
What is the InChIKey of 6-(dipropylamino)-2-methylidenehexanoic acid?
The InChIKey is WSIRVHJZAHTMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-9-14(10-5-2)11-7-6-8-12(3)13(15)16/h3-11H2,1-2H3,(H,15,16).
What are the key properties of 6-(dipropylamino)-2-methylidenehexanoic acid?
6-(dipropylamino)-2-methylidenehexanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-2-methylidenehexanoic acid is sourced from PubChem (CID 22645768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).