3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline

C14H24N4O2 — CID 80897164

IUPAC3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline
SMILESCC(C)CCCC(C)Nc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C14H24N4O2/c1-10(2)6-4-7-11(3)16-12-8-5-9-13(17-15)14(12)18(19)20/h5,8-11,16-17H,4,6-7,15H2,1-3H3
InChIKeyFBROOCLXNQKNMW-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.51
Rot. Bonds8

About 3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline

3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline (PubChem CID 80897164) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline
PubChem CID80897164
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline
SMILESCC(C)CCCC(C)Nc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C14H24N4O2/c1-10(2)6-4-7-11(3)16-12-8-5-9-13(17-15)14(12)18(19)20/h5,8-11,16-17H,4,6-7,15H2,1-3H3
InChIKeyFBROOCLXNQKNMW-UHFFFAOYSA-N
XLogP3.51
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.51
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-N-(3-hydrazinyl-2-nitrophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80904449
3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline
CID 80914228
1-N-methyl-3-N-(5-methylhexan-2-yl)-2-nitrobenzene-1,3-diamine
CID 80839098
3-hydrazinyl-N-(5-methylhexyl)-2-nitroaniline
CID 115327795
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 115992956
3-chloro-N-hexan-2-yl-2-nitroaniline
CID 104835882
3-fluoro-N-heptan-2-yl-2-nitroaniline
CID 55220443
methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate
CID 80897344
N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline
CID 80906458
5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
CID 106138710
3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline
CID 80896955

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline (CID 80897164) is 3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline is CC(C)CCCC(C)Nc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline?
The InChIKey is FBROOCLXNQKNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)6-4-7-11(3)16-12-8-5-9-13(17-15)14(12)18(19)20/h5,8-11,16-17H,4,6-7,15H2,1-3H3.
What are the key properties of 3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline?
3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline has a molecular weight of 280.37 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline is sourced from PubChem (CID 80897164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).