N-cyclohexyl-2-nitroaniline

C12H16N2O2 — CID 3101179

IUPACN-cyclohexyl-2-nitroaniline
SMILESO=[N+]([O-])c1ccccc1NC1CCCCC1
InChIInChI=1S/C12H16N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2
InChIKeyNENZSHGMDIEWOH-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.34
Rot. Bonds3

About N-cyclohexyl-2-nitroaniline

N-cyclohexyl-2-nitroaniline (PubChem CID 3101179) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-cyclohexyl-2-nitroaniline.

Molecular Properties

Compound NameN-cyclohexyl-2-nitroaniline
PubChem CID3101179
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-cyclohexyl-2-nitroaniline
SMILESO=[N+]([O-])c1ccccc1NC1CCCCC1
InChIInChI=1S/C12H16N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2
InChIKeyNENZSHGMDIEWOH-UHFFFAOYSA-N
XLogP3.34
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-nitroaniline?
The IUPAC name of N-cyclohexyl-2-nitroaniline (CID 3101179) is N-cyclohexyl-2-nitroaniline.
What is the SMILES notation for N-cyclohexyl-2-nitroaniline?
The canonical SMILES for N-cyclohexyl-2-nitroaniline is O=[N+]([O-])c1ccccc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-nitroaniline?
The InChIKey is NENZSHGMDIEWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2.
What are the key properties of N-cyclohexyl-2-nitroaniline?
N-cyclohexyl-2-nitroaniline has a molecular weight of 220.27 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-nitroaniline is sourced from PubChem (CID 3101179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).