2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide

C14H20N4O — CID 105351827

IUPAC2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide
SMILESCC(C#N)CN(C)Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C14H20N4O/c1-11(8-15)9-18(2)10-13-5-3-12(4-6-13)7-14(19)17-16/h3-6,11H,7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyUBIOCRCZRBHVQM-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.81
Rot. Bonds6

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

2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide (PubChem CID 105351827) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide
PubChem CID105351827
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide
SMILESCC(C#N)CN(C)Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C14H20N4O/c1-11(8-15)9-18(2)10-13-5-3-12(4-6-13)7-14(19)17-16/h3-6,11H,7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyUBIOCRCZRBHVQM-UHFFFAOYSA-N
XLogP0.81
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide 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-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide
CID 105351919
2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide
CID 63583398
3-[(4-chlorophenyl)methyl-methylamino]-2-methylpropanenitrile
CID 60648042
(E)-3-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 54992370
5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 55212482
2-[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351728
2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351915
3-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]-2-methylpropanenitrile
CID 54991877
2-[4-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351975
2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 105351790
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide
CID 105351782

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide (CID 105351827) is 2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide is CC(C#N)CN(C)Cc1ccc(CC(=O)NN)cc1.
What is the InChIKey of 2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide?
The InChIKey is UBIOCRCZRBHVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(8-15)9-18(2)10-13-5-3-12(4-6-13)7-14(19)17-16/h3-6,11H,7,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide?
2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide has a molecular weight of 260.34 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).