1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine

C9H14N4O2 — CID 107353006

IUPAC1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C9H14N4O2/c1-12(2)6-7-4-3-5-8(13(14)15)9(7)11-10/h3-5,11H,6,10H2,1-2H3
InChIKeyDCHAOCGTGWDNHR-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.94
Rot. Bonds4

About 1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine

1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine (PubChem CID 107353006) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
PubChem CID107353006
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C9H14N4O2/c1-12(2)6-7-4-3-5-8(13(14)15)9(7)11-10/h3-5,11H,6,10H2,1-2H3
InChIKeyDCHAOCGTGWDNHR-UHFFFAOYSA-N
XLogP0.94
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine
CID 112752075
2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107352881
2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol
CID 107353144
3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline
CID 107352931
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]-N,N-dimethylacetamide
CID 107352930
N-ethyl-2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]acetamide
CID 107352926
2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107353100
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]acetamide
CID 107353155
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107352890
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107353064
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 107353246

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine (CID 107353006) is 1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine is CN(C)Cc1cccc([N+](=O)[O-])c1NN.
What is the InChIKey of 1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine?
The InChIKey is DCHAOCGTGWDNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12(2)6-7-4-3-5-8(13(14)15)9(7)11-10/h3-5,11H,6,10H2,1-2H3.
What are the key properties of 1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine?
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine has a molecular weight of 210.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 107353006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).