2-methanimidoyltetradecanoic acid

C15H29NO2 — CID 57062144

IUPAC2-methanimidoyltetradecanoic acid
SMILES[H]/N=C/C(CCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14(13-16)15(17)18/h13-14,16H,2-12H2,1H3,(H,17,18)/b16-13+
InChIKeyBWTYKYKECIARTB-DTQAZKPQSA-N
MW255.40 g/mol
LogP4.65
Rot. Bonds13

About 2-methanimidoyltetradecanoic acid

2-methanimidoyltetradecanoic acid (PubChem CID 57062144) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-methanimidoyltetradecanoic acid.

Molecular Properties

Compound Name2-methanimidoyltetradecanoic acid
PubChem CID57062144
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-methanimidoyltetradecanoic acid
SMILES[H]/N=C/C(CCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14(13-16)15(17)18/h13-14,16H,2-12H2,1H3,(H,17,18)/b16-13+
InChIKeyBWTYKYKECIARTB-DTQAZKPQSA-N
XLogP4.65
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-methanimidoyltetradecanoic 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 2-methanimidoyltetradecanoic acid?
The IUPAC name of 2-methanimidoyltetradecanoic acid (CID 57062144) is 2-methanimidoyltetradecanoic acid.
What is the SMILES notation for 2-methanimidoyltetradecanoic acid?
The canonical SMILES for 2-methanimidoyltetradecanoic acid is [H]/N=C/C(CCCCCCCCCCCC)C(=O)O.
What is the InChIKey of 2-methanimidoyltetradecanoic acid?
The InChIKey is BWTYKYKECIARTB-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14(13-16)15(17)18/h13-14,16H,2-12H2,1H3,(H,17,18)/b16-13+.
What are the key properties of 2-methanimidoyltetradecanoic acid?
2-methanimidoyltetradecanoic acid has a molecular weight of 255.40 g/mol, XLogP of 4.65, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyltetradecanoic acid is sourced from PubChem (CID 57062144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).