2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide

C12H19N3O — CID 63585176

IUPAC2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
SMILESCc1ccccc1CN(C)C(C)C(=O)NN
InChIInChI=1S/C12H19N3O/c1-9-6-4-5-7-11(9)8-15(3)10(2)12(16)14-13/h4-7,10H,8,13H2,1-3H3,(H,14,16)
InChIKeyBGDNWCVQCFZBDB-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.81
Rot. Bonds4

About 2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide

2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide (PubChem CID 63585176) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide.

Molecular Properties

Compound Name2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
PubChem CID63585176
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
SMILESCc1ccccc1CN(C)C(C)C(=O)NN
InChIInChI=1S/C12H19N3O/c1-9-6-4-5-7-11(9)8-15(3)10(2)12(16)14-13/h4-7,10H,8,13H2,1-3H3,(H,14,16)
InChIKeyBGDNWCVQCFZBDB-UHFFFAOYSA-N
XLogP0.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.81
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-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide
CID 55214054
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide
CID 63585520
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787853
N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 51243139
4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide
CID 9453506
(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 8516700
(2R)-N-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 8516621
2-[methyl-[(2-methylphenyl)methyl]amino]butanamide
CID 55211748

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide?
The IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide (CID 63585176) is 2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide.
What is the SMILES notation for 2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide?
The canonical SMILES for 2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide is Cc1ccccc1CN(C)C(C)C(=O)NN.
What is the InChIKey of 2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide?
The InChIKey is BGDNWCVQCFZBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-4-5-7-11(9)8-15(3)10(2)12(16)14-13/h4-7,10H,8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide?
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide has a molecular weight of 221.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide is sourced from PubChem (CID 63585176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).