2-(heptylideneamino)benzoic acid

C14H19NO2 — CID 24833810

IUPAC2-(heptylideneamino)benzoic acid
SMILESCCCCCC/C=N/c1ccccc1C(=O)O
InChIInChI=1S/C14H19NO2/c1-2-3-4-5-8-11-15-13-10-7-6-9-12(13)14(16)17/h6-7,9-11H,2-5,8H2,1H3,(H,16,17)/b15-11+
InChIKeyNYGXFJHXTMKMBE-RVDMUPIBSA-N
MW233.31 g/mol
LogP4.06
Rot. Bonds7

About 2-(heptylideneamino)benzoic acid

2-(heptylideneamino)benzoic acid (PubChem CID 24833810) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(heptylideneamino)benzoic acid.

Molecular Properties

Compound Name2-(heptylideneamino)benzoic acid
PubChem CID24833810
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(heptylideneamino)benzoic acid
SMILESCCCCCC/C=N/c1ccccc1C(=O)O
InChIInChI=1S/C14H19NO2/c1-2-3-4-5-8-11-15-13-10-7-6-9-12(13)14(16)17/h6-7,9-11H,2-5,8H2,1H3,(H,16,17)/b15-11+
InChIKeyNYGXFJHXTMKMBE-RVDMUPIBSA-N
XLogP4.06
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
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-(heptylideneamino)benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(nonylideneamino)phenol
CID 100954410
decane;phthalic acid
CID 158763790
N-(2-methoxyphenyl)undecan-1-imine
CID 135078926
2-(decanoyloxydiazenyl)benzoic acid
CID 141322581
docosane;2-hydroxybenzoic acid
CID 161423500
N-decylidenebenzamide
CID 90984528
2-hept-1-enylbenzoic acid
CID 70379014
2-methylbenzene-1,3-dicarboxylic acid;pentadecanal
CID 174250135
2-[bis(octadec-1-enyl)carbamoyl]benzoic acid
CID 139819843
2-methylbenzene-1,3-dicarboxylic acid;tridecane
CID 161399193
bis(1,4-dioctylbenzene);phthalic acid
CID 174721036
(E)-N-diphenylphosphorylheptan-1-imine
CID 134884295

Frequently Asked Questions

What is the IUPAC name of 2-(heptylideneamino)benzoic acid?
The IUPAC name of 2-(heptylideneamino)benzoic acid (CID 24833810) is 2-(heptylideneamino)benzoic acid.
What is the SMILES notation for 2-(heptylideneamino)benzoic acid?
The canonical SMILES for 2-(heptylideneamino)benzoic acid is CCCCCC/C=N/c1ccccc1C(=O)O.
What is the InChIKey of 2-(heptylideneamino)benzoic acid?
The InChIKey is NYGXFJHXTMKMBE-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-3-4-5-8-11-15-13-10-7-6-9-12(13)14(16)17/h6-7,9-11H,2-5,8H2,1H3,(H,16,17)/b15-11+.
What are the key properties of 2-(heptylideneamino)benzoic acid?
2-(heptylideneamino)benzoic acid has a molecular weight of 233.31 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptylideneamino)benzoic acid is sourced from PubChem (CID 24833810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).