3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide

C12H19N3O — CID 116849645

IUPAC3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CC(N)c1ccc(C)cc1C
InChIInChI=1S/C12H19N3O/c1-8-4-5-10(9(2)6-8)11(13)7-12(16)15-14-3/h4-6,11,14H,7,13H2,1-3H3,(H,15,16)
InChIKeyVEXBFCDVWRMHJA-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.94
Rot. Bonds4

About 3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide

3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide (PubChem CID 116849645) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide.

Molecular Properties

Compound Name3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide
PubChem CID116849645
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CC(N)c1ccc(C)cc1C
InChIInChI=1S/C12H19N3O/c1-8-4-5-10(9(2)6-8)11(13)7-12(16)15-14-3/h4-6,11,14H,7,13H2,1-3H3,(H,15,16)
InChIKeyVEXBFCDVWRMHJA-UHFFFAOYSA-N
XLogP0.94
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate
CID 7256494
3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116849694
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
3-(2,4-dimethylphenyl)-N-methylbutanamide
CID 82077150
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
3,4-diamino-4-(2,4-dimethylphenyl)butanoic acid
CID 116942779
methyl 2-(2,4-dimethylphenyl)butanoate
CID 62802002
3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide
CID 116849643
3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide
CID 82086631
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
methyl 2-bromo-2-(2,4-dimethylphenyl)acetate
CID 23510843

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide?
The IUPAC name of 3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide (CID 116849645) is 3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide.
What is the SMILES notation for 3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide?
The canonical SMILES for 3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide is CNNC(=O)CC(N)c1ccc(C)cc1C.
What is the InChIKey of 3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide?
The InChIKey is VEXBFCDVWRMHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-4-5-10(9(2)6-8)11(13)7-12(16)15-14-3/h4-6,11,14H,7,13H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide?
3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide has a molecular weight of 221.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide is sourced from PubChem (CID 116849645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).