5-(N,2-dimethylanilino)pentanehydrazide

C13H21N3O — CID 63583823

IUPAC5-(N,2-dimethylanilino)pentanehydrazide
SMILESCc1ccccc1N(C)CCCCC(=O)NN
InChIInChI=1S/C13H21N3O/c1-11-7-3-4-8-12(11)16(2)10-6-5-9-13(17)15-14/h3-4,7-8H,5-6,9-10,14H2,1-2H3,(H,15,17)
InChIKeyRKXYDWLJVAIJLV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.59
Rot. Bonds6

About 5-(N,2-dimethylanilino)pentanehydrazide

5-(N,2-dimethylanilino)pentanehydrazide (PubChem CID 63583823) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(N,2-dimethylanilino)pentanehydrazide.

Molecular Properties

Compound Name5-(N,2-dimethylanilino)pentanehydrazide
PubChem CID63583823
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(N,2-dimethylanilino)pentanehydrazide
SMILESCc1ccccc1N(C)CCCCC(=O)NN
InChIInChI=1S/C13H21N3O/c1-11-7-3-4-8-12(11)16(2)10-6-5-9-13(17)15-14/h3-4,7-8H,5-6,9-10,14H2,1-2H3,(H,15,17)
InChIKeyRKXYDWLJVAIJLV-UHFFFAOYSA-N
XLogP1.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(N,2-dimethylanilino)hexan-3-one
CID 106801284
5-(3-fluoro-N-methylanilino)pentanehydrazide
CID 63583475
N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 69433807
N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine
CID 55072175
N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine
CID 55069248
N,2-dimethyl-N-propylaniline
CID 69435269
N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 55069200
5-(4-methylindol-1-yl)pentanehydrazide
CID 55214450
5-[butyl(methyl)amino]pentanehydrazide
CID 63570432
4-(N,2-dimethylanilino)but-2-enoic acid
CID 76940488
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64789948

Frequently Asked Questions

What is the IUPAC name of 5-(N,2-dimethylanilino)pentanehydrazide?
The IUPAC name of 5-(N,2-dimethylanilino)pentanehydrazide (CID 63583823) is 5-(N,2-dimethylanilino)pentanehydrazide.
What is the SMILES notation for 5-(N,2-dimethylanilino)pentanehydrazide?
The canonical SMILES for 5-(N,2-dimethylanilino)pentanehydrazide is Cc1ccccc1N(C)CCCCC(=O)NN.
What is the InChIKey of 5-(N,2-dimethylanilino)pentanehydrazide?
The InChIKey is RKXYDWLJVAIJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-7-3-4-8-12(11)16(2)10-6-5-9-13(17)15-14/h3-4,7-8H,5-6,9-10,14H2,1-2H3,(H,15,17).
What are the key properties of 5-(N,2-dimethylanilino)pentanehydrazide?
5-(N,2-dimethylanilino)pentanehydrazide has a molecular weight of 235.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N,2-dimethylanilino)pentanehydrazide is sourced from PubChem (CID 63583823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).