1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine

C12H19N3O2 — CID 57325002

IUPAC1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine
SMILESCc1cc(NN(C)C(C)(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H19N3O2/c1-9-8-10(6-7-11(9)15(16)17)13-14(5)12(2,3)4/h6-8,13H,1-5H3
InChIKeyJBUFLJIMKAISIK-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.96
Rot. Bonds3

About 1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine

1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine (PubChem CID 57325002) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine.

Molecular Properties

Compound Name1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine
PubChem CID57325002
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine
SMILESCc1cc(NN(C)C(C)(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H19N3O2/c1-9-8-10(6-7-11(9)15(16)17)13-14(5)12(2,3)4/h6-8,13H,1-5H3
InChIKeyJBUFLJIMKAISIK-UHFFFAOYSA-N
XLogP2.96
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine
CID 54538620
N,N'-bis(3-methyl-4-nitrophenyl)propane-1,3-diamine
CID 58611252
2,2-dimethyl-3-(3-methyl-4-nitroanilino)-3-oxopropanoic acid
CID 82821763
1-tert-butyl-3-(3-methyl-4-nitrophenyl)urea
CID 113224570
3-methyl-4-nitro-N-prop-2-ynylaniline
CID 62140888
2,2,3-trimethyl-3-(3-methyl-4-nitroanilino)butanoic acid
CID 65266332
3-methyl-3-(3-methyl-4-nitroanilino)butan-1-ol
CID 115886083
2-methyl-N-(3-methyl-4-nitrophenyl)oxirane-2-carboxamide
CID 71420003
2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide
CID 79257620
(2S)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)butanamide
CID 58773677
(2R)-N-tert-butyl-2-(3-methyl-4-nitroanilino)propanamide
CID 95904358
N-(3-methyl-4-nitrophenyl)ethanesulfonamide
CID 64584965

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine?
The IUPAC name of 1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine (CID 57325002) is 1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine.
What is the SMILES notation for 1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine?
The canonical SMILES for 1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine is Cc1cc(NN(C)C(C)(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of 1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine?
The InChIKey is JBUFLJIMKAISIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-8-10(6-7-11(9)15(16)17)13-14(5)12(2,3)4/h6-8,13H,1-5H3.
What are the key properties of 1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine?
1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine has a molecular weight of 237.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine is sourced from PubChem (CID 57325002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).