3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline

C14H24N4O2 — CID 80897006

IUPAC3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline
SMILESCC(C)CCCC(C)Nc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H24N4O2/c1-10(2)5-4-6-11(3)16-12-7-13(17-15)9-14(8-12)18(19)20/h7-11,16-17H,4-6,15H2,1-3H3
InChIKeyZGWZEAIXGZVKLK-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.51
Rot. Bonds8

About 3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline

3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline (PubChem CID 80897006) 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)-5-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline
PubChem CID80897006
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline
SMILESCC(C)CCCC(C)Nc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H24N4O2/c1-10(2)5-4-6-11(3)16-12-7-13(17-15)9-14(8-12)18(19)20/h7-11,16-17H,4-6,15H2,1-3H3
InChIKeyZGWZEAIXGZVKLK-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-hydrazinyl-5-nitro-N-propan-2-ylaniline
CID 80932452
1-N-methyl-3-N-(4-methylpentyl)-5-nitrobenzene-1,3-diamine
CID 80831311
2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide
CID 80897022
3-N-(4-methylpentyl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80830944
3-fluoro-5-nitro-N-pentan-2-ylaniline
CID 60876122
3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline
CID 80897164
3-N-[4-(dimethylamino)butan-2-yl]-5-nitrobenzene-1,3-diamine
CID 80807015
5-(3-fluoro-5-nitroanilino)hexanoic acid
CID 82846998
1-N-methyl-3-N-(7-methyloctyl)-5-nitrobenzene-1,3-diamine
CID 107818914
3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 80907046
3-fluoro-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 60877643
3-bromo-N-(6-methylheptan-2-yl)-5-nitropyridin-2-amine
CID 79534701

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline (CID 80897006) is 3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline is CC(C)CCCC(C)Nc1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline?
The InChIKey is ZGWZEAIXGZVKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)5-4-6-11(3)16-12-7-13(17-15)9-14(8-12)18(19)20/h7-11,16-17H,4-6,15H2,1-3H3.
What are the key properties of 3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline?
3-hydrazinyl-N-(6-methylheptan-2-yl)-5-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)-5-nitroaniline is sourced from PubChem (CID 80897006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).