4-nitro-N-nonan-2-ylaniline

C15H24N2O2 — CID 43719788

IUPAC4-nitro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H24N2O2/c1-3-4-5-6-7-8-13(2)16-14-9-11-15(12-10-14)17(18)19/h9-13,16H,3-8H2,1-2H3
InChIKeyYBLJYCNFCNVRHR-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.76
Rot. Bonds9

About 4-nitro-N-nonan-2-ylaniline

4-nitro-N-nonan-2-ylaniline (PubChem CID 43719788) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-nitro-N-nonan-2-ylaniline.

Molecular Properties

Compound Name4-nitro-N-nonan-2-ylaniline
PubChem CID43719788
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-nitro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H24N2O2/c1-3-4-5-6-7-8-13(2)16-14-9-11-15(12-10-14)17(18)19/h9-13,16H,3-8H2,1-2H3
InChIKeyYBLJYCNFCNVRHR-UHFFFAOYSA-N
XLogP4.76
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
2-nitro-5-(octan-2-ylamino)benzonitrile
CID 115500236
2-chloro-5-nitro-N-octan-2-ylaniline
CID 43718899
5-nitro-N-octan-2-ylpyrimidin-2-amine
CID 54958890
4-(nonan-2-ylamino)benzenesulfonamide
CID 43129810
N-octan-2-yl-4-propylsulfonylaniline
CID 63541969
4-tert-butyl-N-octan-2-ylaniline
CID 43129735
N-heptan-2-yl-2-methoxy-5-nitroaniline
CID 43717718
2-nitro-N-nonan-2-ylaniline
CID 43718170
N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 23104376
4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
CID 43616946
trimethyl-[2-(4-nitroanilino)propyl]azanium iodide
CID 22155036

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-nonan-2-ylaniline?
The IUPAC name of 4-nitro-N-nonan-2-ylaniline (CID 43719788) is 4-nitro-N-nonan-2-ylaniline.
What is the SMILES notation for 4-nitro-N-nonan-2-ylaniline?
The canonical SMILES for 4-nitro-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-nonan-2-ylaniline?
The InChIKey is YBLJYCNFCNVRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-4-5-6-7-8-13(2)16-14-9-11-15(12-10-14)17(18)19/h9-13,16H,3-8H2,1-2H3.
What are the key properties of 4-nitro-N-nonan-2-ylaniline?
4-nitro-N-nonan-2-ylaniline has a molecular weight of 264.37 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-nonan-2-ylaniline is sourced from PubChem (CID 43719788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).