3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline

C13H22N4O2 — CID 80905083

IUPAC3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline
SMILESCC(C)CC(C)N(C)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H22N4O2/c1-9(2)5-10(3)16(4)12-6-11(15-14)7-13(8-12)17(18)19/h6-10,15H,5,14H2,1-4H3
InChIKeyRNUUJELWXBIZDE-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.75
Rot. Bonds6

About 3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline

3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline (PubChem CID 80905083) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline
PubChem CID80905083
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline
SMILESCC(C)CC(C)N(C)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H22N4O2/c1-9(2)5-10(3)16(4)12-6-11(15-14)7-13(8-12)17(18)19/h6-10,15H,5,14H2,1-4H3
InChIKeyRNUUJELWXBIZDE-UHFFFAOYSA-N
XLogP2.75
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.75
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-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80894806
3-(3-hydrazinyl-N-methyl-5-nitroanilino)butanenitrile
CID 80914174
3-N-butan-2-yl-1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80776508
N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80909909
N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline
CID 80917523
3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline
CID 80895595
3-hydrazinyl-5-nitro-N-propan-2-ylaniline
CID 80932452
2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide
CID 80896043
N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80910026
3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline
CID 80924169
N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline
CID 80928455
3-N,3-N-dimethyl-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80765756

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline (CID 80905083) is 3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline is CC(C)CC(C)N(C)c1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline?
The InChIKey is RNUUJELWXBIZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)5-10(3)16(4)12-6-11(15-14)7-13(8-12)17(18)19/h6-10,15H,5,14H2,1-4H3.
What are the key properties of 3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline?
3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline has a molecular weight of 266.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline is sourced from PubChem (CID 80905083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).