2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide

C13H22N4O — CID 55227180

IUPAC2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
SMILESCN(C)CCN(C)Cc1ccccc1C(=O)NN
InChIInChI=1S/C13H22N4O/c1-16(2)8-9-17(3)10-11-6-4-5-7-12(11)13(18)15-14/h4-7H,8-10,14H2,1-3H3,(H,15,18)
InChIKeyMATSNIMOEBNUIL-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.28
Rot. Bonds6

About 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide

2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide (PubChem CID 55227180) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
PubChem CID55227180
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
SMILESCN(C)CCN(C)Cc1ccccc1C(=O)NN
InChIInChI=1S/C13H22N4O/c1-16(2)8-9-17(3)10-11-6-4-5-7-12(11)13(18)15-14/h4-7H,8-10,14H2,1-3H3,(H,15,18)
InChIKeyMATSNIMOEBNUIL-UHFFFAOYSA-N
XLogP0.28
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.28
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'}

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Related Compounds

2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide
CID 141152693
2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzohydrazide
CID 81068442
2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide
CID 63583398
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
CID 63574180
2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 55212652
2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide
CID 63585311
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
2-[(N,3-dimethylanilino)methyl]benzohydrazide
CID 63585084
2-propylbenzohydrazide
CID 140653675
2-[[bis(cyanomethyl)amino]methyl]benzohydrazide
CID 55214787
2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide
CID 55213439
2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide
CID 79489331

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide?
The IUPAC name of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide (CID 55227180) is 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide.
What is the SMILES notation for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide?
The canonical SMILES for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide is CN(C)CCN(C)Cc1ccccc1C(=O)NN.
What is the InChIKey of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide?
The InChIKey is MATSNIMOEBNUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16(2)8-9-17(3)10-11-6-4-5-7-12(11)13(18)15-14/h4-7H,8-10,14H2,1-3H3,(H,15,18).
What are the key properties of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide?
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide has a molecular weight of 250.35 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide is sourced from PubChem (CID 55227180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).