2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid

C15H22N2O2 — CID 24974248

IUPAC2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid
SMILESCCCC(Cc1ccccc1)(/N=C/N(C)C)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-4-10-15(14(18)19,16-12-17(2)3)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,19)/b16-12+
InChIKeyZSQANHJZWZDYNB-FOWTUZBSSA-N
MW262.35 g/mol
LogP2.44
Rot. Bonds7

About 2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid

2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid (PubChem CID 24974248) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid
PubChem CID24974248
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid
SMILESCCCC(Cc1ccccc1)(/N=C/N(C)C)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-4-10-15(14(18)19,16-12-17(2)3)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,19)/b16-12+
InChIKeyZSQANHJZWZDYNB-FOWTUZBSSA-N
XLogP2.44
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid?
The IUPAC name of 2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid (CID 24974248) is 2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid.
What is the SMILES notation for 2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid?
The canonical SMILES for 2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid is CCCC(Cc1ccccc1)(/N=C/N(C)C)C(=O)O.
What is the InChIKey of 2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid?
The InChIKey is ZSQANHJZWZDYNB-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-10-15(14(18)19,16-12-17(2)3)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,19)/b16-12+.
What are the key properties of 2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid?
2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(dimethylaminomethylideneamino)pentanoic acid is sourced from PubChem (CID 24974248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).