N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine

C11H19N5O2 — CID 103466734

IUPACN-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCCC(C)(C)CNc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O2/c1-4-11(2,3)7-13-10-8(16(17)18)5-6-9(14-10)15-12/h5-6H,4,7,12H2,1-3H3,(H2,13,14,15)
InChIKeyXWINGXHAWPOBCT-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.12
Rot. Bonds6

About N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine

N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 103466734) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID103466734
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCCC(C)(C)CNc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O2/c1-4-11(2,3)7-13-10-8(16(17)18)5-6-9(14-10)15-12/h5-6H,4,7,12H2,1-3H3,(H2,13,14,15)
InChIKeyXWINGXHAWPOBCT-UHFFFAOYSA-N
XLogP2.12
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 80916085
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 80918744
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine
CID 80912104
6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 82875536
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 80905959
methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
CID 80899106
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 114175800
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114143244
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide
CID 106280492
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine (CID 103466734) is N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine is CCC(C)(C)CNc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is XWINGXHAWPOBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-11(2,3)7-13-10-8(16(17)18)5-6-9(14-10)15-12/h5-6H,4,7,12H2,1-3H3,(H2,13,14,15).
What are the key properties of N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine?
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 253.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 103466734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).