1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine

C9H13N3O2 — CID 54538620

IUPAC1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine
SMILESCc1cc(NN(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O2/c1-7-6-8(10-11(2)3)4-5-9(7)12(13)14/h4-6,10H,1-3H3
InChIKeyZBNOLAVHSJLKHZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.79
Rot. Bonds3

About 1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine

1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine (PubChem CID 54538620) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine.

Molecular Properties

Compound Name1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine
PubChem CID54538620
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine
SMILESCc1cc(NN(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O2/c1-7-6-8(10-11(2)3)4-5-9(7)12(13)14/h4-6,10H,1-3H3
InChIKeyZBNOLAVHSJLKHZ-UHFFFAOYSA-N
XLogP1.79
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.79
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-tert-butyl-1-methyl-2-(3-methyl-4-nitrophenyl)hydrazine
CID 57325002
N,N'-bis(3-methyl-4-nitrophenyl)propane-1,3-diamine
CID 58611252
3-methyl-4-nitro-N-prop-2-ynylaniline
CID 62140888
N-(3-methyl-4-nitrophenyl)ethanesulfonamide
CID 64584965
2,2-dimethyl-3-(3-methyl-4-nitroanilino)-3-oxopropanoic acid
CID 82821763
4-(3-methyl-4-nitroanilino)cyclohexan-1-ol
CID 43381665
N-(3-methyl-4-nitrophenyl)pyrimidin-2-amine
CID 125475479
2-methyl-N-(3-methyl-4-nitrophenyl)oxirane-2-carboxamide
CID 71420003
methyl N-(3-methyl-4-nitroanilino)carbamate
CID 22620268
1-tert-butyl-3-(3-methyl-4-nitrophenyl)urea
CID 113224570
4-methyl-N-(3-methyl-4-nitrophenyl)thiolan-3-amine
CID 114285182
3-methyl-4-nitro-N-octylaniline
CID 55191806

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine?
The IUPAC name of 1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine (CID 54538620) is 1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine.
What is the SMILES notation for 1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine?
The canonical SMILES for 1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine is Cc1cc(NN(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of 1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine?
The InChIKey is ZBNOLAVHSJLKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7-6-8(10-11(2)3)4-5-9(7)12(13)14/h4-6,10H,1-3H3.
What are the key properties of 1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine?
1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine has a molecular weight of 195.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine is sourced from PubChem (CID 54538620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).