N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline

C13H22N4O2 — CID 80915908

IUPACN-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline
SMILESCCC(CC)(CC)Nc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H22N4O2/c1-4-13(5-2,6-3)15-10-7-11(16-14)9-12(8-10)17(18)19/h7-9,15-16H,4-6,14H2,1-3H3
InChIKeyHUKHJIQWAYFLRA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.26
Rot. Bonds7

About N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline

N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline (PubChem CID 80915908) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline
PubChem CID80915908
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline
SMILESCCC(CC)(CC)Nc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H22N4O2/c1-4-13(5-2,6-3)15-10-7-11(16-14)9-12(8-10)17(18)19/h7-9,15-16H,4-6,14H2,1-3H3
InChIKeyHUKHJIQWAYFLRA-UHFFFAOYSA-N
XLogP3.26
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.26
H-Bond Donors ≤ 53
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-(2,2-dimethylbutyl)-3-hydrazinyl-5-nitroaniline
CID 103466749
2-(3-amino-5-nitroanilino)-2-ethylpropane-1,3-diol
CID 107868534
3-hydrazinyl-5-nitro-N-propan-2-ylaniline
CID 80932452
2-ethyl-2-[3-nitro-5-(propylamino)anilino]butan-1-ol
CID 80803479
2-ethyl-2-(3-methoxy-5-nitroanilino)propane-1,3-diol
CID 107866172
3-N-(2-methylbutan-2-yl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80768062
N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline
CID 80929398
3-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-5-nitroaniline
CID 80929129
2-ethyl-2-(3-nitro-5-propoxyanilino)butan-1-ol
CID 80731789
2-ethyl-2-(3-nitro-5-propan-2-yloxyanilino)butan-1-ol
CID 80731790
2-(3-hydrazinyl-5-nitroanilino)acetamide
CID 80931618
3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline
CID 80897006

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline?
The IUPAC name of N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline (CID 80915908) is N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline?
The canonical SMILES for N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline is CCC(CC)(CC)Nc1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline?
The InChIKey is HUKHJIQWAYFLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-13(5-2,6-3)15-10-7-11(16-14)9-12(8-10)17(18)19/h7-9,15-16H,4-6,14H2,1-3H3.
What are the key properties of N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline?
N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline has a molecular weight of 266.34 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline is sourced from PubChem (CID 80915908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).