3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide

C13H21N3O — CID 55214054

IUPAC3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide
SMILESCc1ccccc1CN(C)C(C)CC(=O)NN
InChIInChI=1S/C13H21N3O/c1-10-6-4-5-7-12(10)9-16(3)11(2)8-13(17)15-14/h4-7,11H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyUWACFSWNVOMUTA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.20
Rot. Bonds5

About 3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide

3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide (PubChem CID 55214054) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide.

Molecular Properties

Compound Name3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide
PubChem CID55214054
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide
SMILESCc1ccccc1CN(C)C(C)CC(=O)NN
InChIInChI=1S/C13H21N3O/c1-10-6-4-5-7-12(10)9-16(3)11(2)8-13(17)15-14/h4-7,11H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyUWACFSWNVOMUTA-UHFFFAOYSA-N
XLogP1.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.20
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-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide
CID 63585520
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
(3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide
CID 99936419
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine
CID 64706789
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
2-[methyl-[(2-methylphenyl)methyl]amino]butanamide
CID 55211748
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide?
The IUPAC name of 3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide (CID 55214054) is 3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide.
What is the SMILES notation for 3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide?
The canonical SMILES for 3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide is Cc1ccccc1CN(C)C(C)CC(=O)NN.
What is the InChIKey of 3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide?
The InChIKey is UWACFSWNVOMUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-6-4-5-7-12(10)9-16(3)11(2)8-13(17)15-14/h4-7,11H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide?
3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide has a molecular weight of 235.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide is sourced from PubChem (CID 55214054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).