4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide

C14H23N3O — CID 63573274

IUPAC4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
SMILESCCCN(Cc1ccc(C(=O)NN)cc1)C(C)C
InChIInChI=1S/C14H23N3O/c1-4-9-17(11(2)3)10-12-5-7-13(8-6-12)14(18)16-15/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyCIWHUQBPBWYOPC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.91
Rot. Bonds6

About 4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide

4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide (PubChem CID 63573274) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
PubChem CID63573274
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
SMILESCCCN(Cc1ccc(C(=O)NN)cc1)C(C)C
InChIInChI=1S/C14H23N3O/c1-4-9-17(11(2)3)10-12-5-7-13(8-6-12)14(18)16-15/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyCIWHUQBPBWYOPC-UHFFFAOYSA-N
XLogP1.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.91
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-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide
CID 63578262
4-[[propan-2-yl(propyl)amino]methyl]benzenecarbothioamide
CID 43269597
3-bromo-4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 102774520
4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573814
N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride
CID 119383699
2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 55212652
N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 62422195
N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline
CID 142231722
4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide
CID 112666671
4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide
CID 63583220
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832

Frequently Asked Questions

What is the IUPAC name of 4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide?
The IUPAC name of 4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide (CID 63573274) is 4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide?
The canonical SMILES for 4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide is CCCN(Cc1ccc(C(=O)NN)cc1)C(C)C.
What is the InChIKey of 4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide?
The InChIKey is CIWHUQBPBWYOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-9-17(11(2)3)10-12-5-7-13(8-6-12)14(18)16-15/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18).
What are the key properties of 4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide?
4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide has a molecular weight of 249.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63573274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).