[3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine

C13H22N2O — CID 105245324

IUPAC[3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine
SMILESCOC(C)(C)C(Cc1cccc(C)c1)NN
InChIInChI=1S/C13H22N2O/c1-10-6-5-7-11(8-10)9-12(15-14)13(2,3)16-4/h5-8,12,15H,9,14H2,1-4H3
InChIKeyPXLZBEYFDGBMGF-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.79
Rot. Bonds5

About [3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine

[3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine (PubChem CID 105245324) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine
PubChem CID105245324
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine
SMILESCOC(C)(C)C(Cc1cccc(C)c1)NN
InChIInChI=1S/C13H22N2O/c1-10-6-5-7-11(8-10)9-12(15-14)13(2,3)16-4/h5-8,12,15H,9,14H2,1-4H3
InChIKeyPXLZBEYFDGBMGF-UHFFFAOYSA-N
XLogP1.79
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine
CID 79197006
[1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105215650
[3-ethoxy-3-methyl-1-(3-methylphenyl)pentan-2-yl]hydrazine
CID 105274721
[1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106868583
[1-(3,5-dimethylphenyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105208894
[1,1-dimethoxy-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105245974
[1-(2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245348
4-methoxy-N,4-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 103024872
[5,5-dimethyl-1-(3-methylphenyl)hexan-2-yl]hydrazine
CID 105208965
[1-(3,5-dimethylphenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274027
methyl 3-amino-2,2-dimethyl-4-(3-methylphenyl)butanoate
CID 54568880
[1-(4-tert-butylphenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105209061

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine?
The IUPAC name of [3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine (CID 105245324) is [3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine.
What is the SMILES notation for [3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine?
The canonical SMILES for [3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine is COC(C)(C)C(Cc1cccc(C)c1)NN.
What is the InChIKey of [3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine?
The InChIKey is PXLZBEYFDGBMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-6-5-7-11(8-10)9-12(15-14)13(2,3)16-4/h5-8,12,15H,9,14H2,1-4H3.
What are the key properties of [3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine?
[3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine has a molecular weight of 222.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine is sourced from PubChem (CID 105245324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).