2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide

C17H29N3O — CID 79489331

IUPAC2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide
SMILESCCC(CC)N(Cc1ccccc1C(=O)NN)CC(C)C
InChIInChI=1S/C17H29N3O/c1-5-15(6-2)20(11-13(3)4)12-14-9-7-8-10-16(14)17(21)19-18/h7-10,13,15H,5-6,11-12,18H2,1-4H3,(H,19,21)
InChIKeyFTRLMZCPEANPAO-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.94
Rot. Bonds8

About 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide

2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide (PubChem CID 79489331) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide
PubChem CID79489331
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide
SMILESCCC(CC)N(Cc1ccccc1C(=O)NN)CC(C)C
InChIInChI=1S/C17H29N3O/c1-5-15(6-2)20(11-13(3)4)12-14-9-7-8-10-16(14)17(21)19-18/h7-10,13,15H,5-6,11-12,18H2,1-4H3,(H,19,21)
InChIKeyFTRLMZCPEANPAO-UHFFFAOYSA-N
XLogP2.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.94
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-[2-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenyl]acetic acid
CID 115462976
2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 55212652
2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide
CID 63583398
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
CID 55227180
2-propylbenzohydrazide
CID 140653675
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzohydrazide
CID 81068442
2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79490268
2-[[2-methylpropyl(propan-2-yl)amino]methyl]benzenecarbothioamide
CID 54999669
2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide
CID 115465400
2-(4-methylpentan-2-yloxymethyl)benzohydrazide
CID 63574397
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 63583548

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide?
The IUPAC name of 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide (CID 79489331) is 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide.
What is the SMILES notation for 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide?
The canonical SMILES for 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide is CCC(CC)N(Cc1ccccc1C(=O)NN)CC(C)C.
What is the InChIKey of 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide?
The InChIKey is FTRLMZCPEANPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-15(6-2)20(11-13(3)4)12-14-9-7-8-10-16(14)17(21)19-18/h7-10,13,15H,5-6,11-12,18H2,1-4H3,(H,19,21).
What are the key properties of 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide?
2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide has a molecular weight of 291.44 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide is sourced from PubChem (CID 79489331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).