3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline

C15H18N4O2 — CID 80899703

IUPAC3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline
SMILESNNc1cccc(NCCCc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O2/c16-18-14-10-4-9-13(15(14)19(20)21)17-11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10,17-18H,5,8,11,16H2
InChIKeyFGWKGXKVINSSRK-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.93
Rot. Bonds7

About 3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline

3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline (PubChem CID 80899703) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline.

Molecular Properties

Compound Name3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline
PubChem CID80899703
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline
SMILESNNc1cccc(NCCCc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O2/c16-18-14-10-4-9-13(15(14)19(20)21)17-11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10,17-18H,5,8,11,16H2
InChIKeyFGWKGXKVINSSRK-UHFFFAOYSA-N
XLogP2.93
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.93
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-(4-methylpentyl)-2-nitroaniline
CID 80914228
3-hydrazinyl-N-(5-methylhexyl)-2-nitroaniline
CID 115327795
5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
CID 106138710
3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline
CID 80897775
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 80899786
3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline
CID 80924180
3-N-[3-[benzyl(methyl)amino]propyl]-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 113258955
3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline
CID 106424721
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
N'-(3-chloro-2-nitrophenyl)butane-1,4-diamine
CID 104835525

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline?
The IUPAC name of 3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline (CID 80899703) is 3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline.
What is the SMILES notation for 3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline?
The canonical SMILES for 3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline is NNc1cccc(NCCCc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline?
The InChIKey is FGWKGXKVINSSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-18-14-10-4-9-13(15(14)19(20)21)17-11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10,17-18H,5,8,11,16H2.
What are the key properties of 3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline?
3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline has a molecular weight of 286.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline is sourced from PubChem (CID 80899703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).