3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline

C12H20N4O2 — CID 80914228

IUPAC3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline
SMILESCC(C)CCCNc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O2/c1-9(2)5-4-8-14-10-6-3-7-11(15-13)12(10)16(17)18/h3,6-7,9,14-15H,4-5,8,13H2,1-2H3
InChIKeyAOPROQFJFGVNSU-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.73
Rot. Bonds7

About 3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline

3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline (PubChem CID 80914228) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline
PubChem CID80914228
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline
SMILESCC(C)CCCNc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O2/c1-9(2)5-4-8-14-10-6-3-7-11(15-13)12(10)16(17)18/h3,6-7,9,14-15H,4-5,8,13H2,1-2H3
InChIKeyAOPROQFJFGVNSU-UHFFFAOYSA-N
XLogP2.73
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3-hydrazinyl-N-(5-methylhexyl)-2-nitroaniline
CID 115327795
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
CID 106138710
3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 115992956
3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline
CID 80897164
1-N-methyl-3-N-(3-methylbutyl)-2-nitrobenzene-1,3-diamine
CID 80785885
N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 80899786
5-[3-(methylamino)-2-nitroanilino]pentan-2-ol
CID 106138125
3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline
CID 80899703
5-[3-(ethylamino)-2-nitroanilino]pentan-2-ol
CID 106138170
5-(3-amino-2-nitroanilino)pentan-2-ol
CID 106138135
2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80907483

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline (CID 80914228) is 3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline is CC(C)CCCNc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline?
The InChIKey is AOPROQFJFGVNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)5-4-8-14-10-6-3-7-11(15-13)12(10)16(17)18/h3,6-7,9,14-15H,4-5,8,13H2,1-2H3.
What are the key properties of 3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline?
3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline has a molecular weight of 252.32 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline is sourced from PubChem (CID 80914228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).