3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide

C13H21N3O — CID 116849205

IUPAC3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide
SMILESCCCc1ccc(C(N)CC(=O)N(C)N)cc1
InChIInChI=1S/C13H21N3O/c1-3-4-10-5-7-11(8-6-10)12(14)9-13(17)16(2)15/h5-8,12H,3-4,9,14-15H2,1-2H3
InChIKeyQMZJHMFFEKXGTJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.36
Rot. Bonds5

About 3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide

3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide (PubChem CID 116849205) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide.

Molecular Properties

Compound Name3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide
PubChem CID116849205
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide
SMILESCCCc1ccc(C(N)CC(=O)N(C)N)cc1
InChIInChI=1S/C13H21N3O/c1-3-4-10-5-7-11(8-6-10)12(14)9-13(17)16(2)15/h5-8,12H,3-4,9,14-15H2,1-2H3
InChIKeyQMZJHMFFEKXGTJ-UHFFFAOYSA-N
XLogP1.36
TPSA72.35 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 ≤ 51.36
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

(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
3-amino-N-methyl-3-pyridin-4-ylpropanehydrazide
CID 116849287
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143
2-amino-2-(4-propylphenyl)acetamide
CID 116850738
3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanehydrazide
CID 116849196
ethyl 6-amino-6-(4-propylphenyl)hexanoate
CID 60862663
ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate
CID 62935026
3-amino-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 60947587
N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43105672
N'-methyl-N'-(2-methylbutyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43295696
N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43569993
3-(4-ethylphenyl)-N-methylpropanehydrazide
CID 116844908

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide?
The IUPAC name of 3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide (CID 116849205) is 3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide.
What is the SMILES notation for 3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide?
The canonical SMILES for 3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide is CCCc1ccc(C(N)CC(=O)N(C)N)cc1.
What is the InChIKey of 3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide?
The InChIKey is QMZJHMFFEKXGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-4-10-5-7-11(8-6-10)12(14)9-13(17)16(2)15/h5-8,12H,3-4,9,14-15H2,1-2H3.
What are the key properties of 3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide?
3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide has a molecular weight of 235.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide is sourced from PubChem (CID 116849205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).