3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline

C11H18N4O2 — CID 80931845

IUPAC3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
SMILESCC(C)CCNc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O2/c1-8(2)6-7-13-9-4-3-5-10(14-12)11(9)15(16)17/h3-5,8,13-14H,6-7,12H2,1-2H3
InChIKeyRFQCCOPAUBHVBR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.34
Rot. Bonds6

About 3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline

3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline (PubChem CID 80931845) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
PubChem CID80931845
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
SMILESCC(C)CCNc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O2/c1-8(2)6-7-13-9-4-3-5-10(14-12)11(9)15(16)17/h3-5,8,13-14H,6-7,12H2,1-2H3
InChIKeyRFQCCOPAUBHVBR-UHFFFAOYSA-N
XLogP2.34
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.34
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

3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline
CID 80914228
3-hydrazinyl-N-(5-methylhexyl)-2-nitroaniline
CID 115327795
1-N-methyl-3-N-(3-methylbutyl)-2-nitrobenzene-1,3-diamine
CID 80785885
5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
CID 106138710
3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline
CID 80897164
N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 80899786
3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 115992956
2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80907483
N-(3-methylbutyl)-2-nitroaniline
CID 21476259
3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline
CID 80899703
N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine
CID 80919667
2-nitro-1-N,3-N-dipropylbenzene-1,3-diamine
CID 80765798

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline (CID 80931845) is 3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline is CC(C)CCNc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline?
The InChIKey is RFQCCOPAUBHVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(2)6-7-13-9-4-3-5-10(14-12)11(9)15(16)17/h3-5,8,13-14H,6-7,12H2,1-2H3.
What are the key properties of 3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline?
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline has a molecular weight of 238.29 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline is sourced from PubChem (CID 80931845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).