N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline

C11H16N4O2 — CID 80906458

IUPACN-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline
SMILESCC(Nc1cccc(NN)c1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H16N4O2/c1-7(8-5-6-8)13-9-3-2-4-10(14-12)11(9)15(16)17/h2-4,7-8,13-14H,5-6,12H2,1H3
InChIKeyHVZKSVSIXZEAOF-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.09
Rot. Bonds5

About N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline

N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline (PubChem CID 80906458) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline
PubChem CID80906458
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline
SMILESCC(Nc1cccc(NN)c1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H16N4O2/c1-7(8-5-6-8)13-9-3-2-4-10(14-12)11(9)15(16)17/h2-4,7-8,13-14H,5-6,12H2,1H3
InChIKeyHVZKSVSIXZEAOF-UHFFFAOYSA-N
XLogP2.09
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.09
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-(1-cyclopentylethyl)-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80821225
methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate
CID 80897344
1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol
CID 80914199
3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline
CID 80897164
3-N-(3-hydrazinyl-2-nitrophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80904449
1-N-methyl-2-nitro-3-N-[1-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 80781941
N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline
CID 80901418
N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549532
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
3-(3-hydrazinyl-2-nitroanilino)-2-methylsulfanylbutan-1-ol
CID 106163685
2-nitro-N-[(1S)-1-(oxan-4-yl)ethyl]aniline
CID 124679742
3-hydrazinyl-2-nitro-N-(thian-4-ylmethyl)aniline
CID 113488480

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline?
The IUPAC name of N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline (CID 80906458) is N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline?
The canonical SMILES for N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline is CC(Nc1cccc(NN)c1[N+](=O)[O-])C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline?
The InChIKey is HVZKSVSIXZEAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(8-5-6-8)13-9-3-2-4-10(14-12)11(9)15(16)17/h2-4,7-8,13-14H,5-6,12H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline?
N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline has a molecular weight of 236.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline is sourced from PubChem (CID 80906458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).