N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline

C14H22N4O2 — CID 80928455

IUPACN-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline
SMILESCCN(c1cc(NN)cc([N+](=O)[O-])c1)C1CCCCC1
InChIInChI=1S/C14H22N4O2/c1-2-17(12-6-4-3-5-7-12)13-8-11(16-15)9-14(10-13)18(19)20/h8-10,12,16H,2-7,15H2,1H3
InChIKeyURYVPMZJZAZGBS-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.04
Rot. Bonds5

About N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline

N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline (PubChem CID 80928455) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline
PubChem CID80928455
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline
SMILESCCN(c1cc(NN)cc([N+](=O)[O-])c1)C1CCCCC1
InChIInChI=1S/C14H22N4O2/c1-2-17(12-6-4-3-5-7-12)13-8-11(16-15)9-14(10-13)18(19)20/h8-10,12,16H,2-7,15H2,1H3
InChIKeyURYVPMZJZAZGBS-UHFFFAOYSA-N
XLogP3.04
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
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-cyclopentyl-3-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80782218
N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80910026
N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline
CID 80917523
3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol
CID 102875541
N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80894806
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline
CID 80901526
2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide
CID 80896043
3-N-(cyclobutylmethyl)-3-N-ethyl-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 107403134
2-(3-amino-N-cyclohexyl-5-nitroanilino)ethanol
CID 80811348
N-cyclohexyl-N-ethyl-2,4-dinitroaniline
CID 9282678
3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 80905083
3-N-cyclopropyl-1-N-methyl-5-nitro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 80779068

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline?
The IUPAC name of N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline (CID 80928455) is N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline is CCN(c1cc(NN)cc([N+](=O)[O-])c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline?
The InChIKey is URYVPMZJZAZGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-17(12-6-4-3-5-7-12)13-8-11(16-15)9-14(10-13)18(19)20/h8-10,12,16H,2-7,15H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline?
N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline has a molecular weight of 278.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline is sourced from PubChem (CID 80928455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).