2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide

C15H25N3O — CID 105351919

IUPAC2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide
SMILESCC(C)CCN(C)Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C15H25N3O/c1-12(2)8-9-18(3)11-14-6-4-13(5-7-14)10-15(19)17-16/h4-7,12H,8-11,16H2,1-3H3,(H,17,19)
InChIKeyOBHFFQDRZQXYQE-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.70
Rot. Bonds7

About 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide

2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide (PubChem CID 105351919) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide
PubChem CID105351919
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide
SMILESCC(C)CCN(C)Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C15H25N3O/c1-12(2)8-9-18(3)11-14-6-4-13(5-7-14)10-15(19)17-16/h4-7,12H,8-11,16H2,1-3H3,(H,17,19)
InChIKeyOBHFFQDRZQXYQE-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.70
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

2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide
CID 105351918
2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 105351827
2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351915
2-[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351728
2-[methyl(3-methylbutyl)amino]acetohydrazide
CID 63578577
2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 105351790
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide
CID 105351782
2-[4-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351975
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871
2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]acetic acid
CID 105345659
2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide
CID 105351841
2-[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]acetohydrazide
CID 105351792

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide (CID 105351919) is 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide is CC(C)CCN(C)Cc1ccc(CC(=O)NN)cc1.
What is the InChIKey of 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide?
The InChIKey is OBHFFQDRZQXYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)8-9-18(3)11-14-6-4-13(5-7-14)10-15(19)17-16/h4-7,12H,8-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide?
2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide has a molecular weight of 263.38 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).