4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide

C13H20BrN3O — CID 63579697

IUPAC4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide
SMILESCC(CCC(=O)NN)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H20BrN3O/c1-10(3-8-13(18)16-15)17(2)9-11-4-6-12(14)7-5-11/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,18)
InChIKeyPZUSGJFMFRBMRE-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.04
Rot. Bonds6

About 4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide

4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide (PubChem CID 63579697) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide
PubChem CID63579697
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide
SMILESCC(CCC(=O)NN)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H20BrN3O/c1-10(3-8-13(18)16-15)17(2)9-11-4-6-12(14)7-5-11/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,18)
InChIKeyPZUSGJFMFRBMRE-UHFFFAOYSA-N
XLogP2.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorophenyl)methyl-methylamino]pentanehydrazide
CID 63578763
4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide
CID 63585520
methyl 2-[(4-bromophenyl)methyl-methylamino]propanoate
CID 60705767
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62411375
4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide
CID 63572365
2-[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351728
4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573814
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
2-N-[(4-bromophenyl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62413127
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide
CID 63574231

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide?
The IUPAC name of 4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide (CID 63579697) is 4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide.
What is the SMILES notation for 4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide?
The canonical SMILES for 4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide is CC(CCC(=O)NN)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide?
The InChIKey is PZUSGJFMFRBMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-10(3-8-13(18)16-15)17(2)9-11-4-6-12(14)7-5-11/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide?
4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide has a molecular weight of 314.23 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide is sourced from PubChem (CID 63579697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).